SCHEMBL2087116

SCHEMBL2087116

O=[C]N1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HSD11B1 P28845 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NSD2 O96028 1/20 0.36
PABPC1 P11940 1/20 0.36
DUSP3 P51452 2/20 0.35
PTPN5 P54829 2/20 0.35
PTPN11 Q06124 2/20 0.35
CYP2D6 P10635 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1306553 0.86 MEN1 (0.35) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL5528947 0.80 HTR1A (0.44) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL3971866 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL154974 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL235856 0.79
SCHEMBL13833159 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3952603 0.76 DRD2 (0.39) KDM4EKMT2ALMNAMEN1DRD2
SCHEMBL743083 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL10625140 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3950972 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 81 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US claimed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO claimed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US claimed
JP-2004525173-A 2004-08-19 JP claimed
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP claimed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP claimed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US claimed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO claimed
CN-1033585-C 1, 2, 4-TRIAZOLO (1, 5-ALPHA) PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND THEIR USE EQIS GYOPYSZERGYAR (HU) 1996-12-18 CN claimed
EP-0500136-B1 1,2,4-Triazolo[1,5-a]pyrimidine derivatives, a process for preparing them as well as medicaments containing them and the use of them EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1996-05-15 EP claimed
US-5478825-A Cardiotonic, antianginal agents EGIS GYOGYSZERGYAR (HU) 1995-12-26 US claimed
EP-0412820-B1 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-03-02 EP claimed
US-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 US claimed
CN-1064277-A 5- (substituted amino) -1, 2, 4-triazolo (1, 5-a) pyrimidine derivatives EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1992-09-09 CN claimed
EP-0500136-A1 1,2,4-Triazolo[1,5-a]pyrimidine derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR (HU) 1992-08-26 EP claimed
EP-0412820-A2 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 EP claimed
US-4151357-A FOR PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1979-04-24 US claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 US disclosed
EP-1689393-A4 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP disclosed
EP-1830842-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-12 EP disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
CN-1922160-A Compound (I) ASTRAZENECA AB (SE) 2007-02-28 CN disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
EP-1718625-A1 COMPOUNDS AstraZeneca AB (SE) 2006-11-08 EP disclosed
US-7115647-B2 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 US disclosed
WO-2006067168-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
EP-1000932-B9 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-28 EP disclosed
WO-2005080360-A1 COMPOUNDS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US disclosed
EP-1000932-B1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2004-09-15 EP disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US disclosed
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP disclosed
US-6242474-B1 SULFONYLCARBAMOYLALKYLIMIDAZOLE DERIVATIVES; ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000932-A1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-17 EP disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
CN-1033585-C 1, 2, 4-TRIAZOLO (1, 5-ALPHA) PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND THEIR USE EQIS GYOPYSZERGYAR (HU) 1996-12-18 CN disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0500137-B1 1,2,4-Triazolo[1,5-a]pyrimidine derivatives, a process for preparing them as well as medicaments containing them and the use of them EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1996-05-15 EP disclosed
US-5478825-A Cardiotonic, antianginal agents EGIS GYOGYSZERGYAR (HU) 1995-12-26 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0413516-B1 4-Methylene-1-oxa-2-oxo-8-azaspiro[4,5]decane derivatives, pharmaceutical compositions containing them and processes for preparing them RICHTER GEDEON VEGYESZET (HU) 1994-04-20 EP disclosed
EP-0414422-B1 2-Oxo-1-oxa-8-azaspiro [4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-04-06 EP disclosed
EP-0414421-B1 1-Oxa-2-oxo-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-04-06 EP disclosed
EP-0412820-B1 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-03-02 EP disclosed
US-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 US disclosed
US-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 US disclosed
CN-1064277-A 5- (substituted amino) -1, 2, 4-triazolo (1, 5-a) pyrimidine derivatives EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1992-09-09 CN disclosed
EP-0500137-A1 1,2,4-Triazolo[1,5-a]pyrimidine derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR (HU) 1992-08-26 EP disclosed
EP-0414421-A2 1-Oxa-2-oxo-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-27 EP disclosed
EP-0414422-A2 2-Oxo-1-oxa-8-azaspiro [4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-27 EP disclosed
EP-0413516-A2 4-Methylene-1-oxa-2-oxo-8-azaspiro[4,5]decane derivatives, pharmaceutical compositions containing them and processes for preparing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-20 EP disclosed
EP-0412821-A2 1-oxa-2-oxo-3,8-diazaspiro[4,5]decane derivatives, pharmaceutical compositions containing them and processes for preparing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 EP disclosed
EP-0412820-A2 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 EP disclosed
EP-0412820-A2 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 EP disclosed
US-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 ALDH1A1 1526/4885KDM4E 695/4885KMT2A 2176/4885
US-20080312207-A1 Compounds GRK4, PTGER4, GRK5 ALDH1A1 3010/4885KDM4E 1250/4885KMT2A 2619/4885
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 ALDH1A1 116/4885KDM4E 3659/4885KMT2A 4592/4885
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT ALDH1A1 1463/4885KDM4E 2944/4885KMT2A 1949/4885
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR ALDH1A1 1919/4885KDM4E 1496/4885KMT2A 3464/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 ALDH1A1 2797/4885KDM4E 4459/4885KMT2A 3883/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885KDM4E 2169/4885KMT2A 3784/4885
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ALDH1A1 110/4885KDM4E 3835/4885KMT2A 4673/4885
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA ALDH1A1 4114/4885KDM4E 1167/4885KMT2A 2508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.