SCHEMBL4617829

SCHEMBL4617829

CCN1CCN(c2ccccc2OC)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.77
DRD3 P35462 3/20 0.72
HTR1A P08908 1/20 0.70
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
KDM4E B2RXH2 5/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
HTR7 P34969 1/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62
DRD4 P21917 1/20 0.62
HRH2 P25021 1/20 0.62
HRH1 P35367 1/20 0.62
MAPT P10636 1/20 0.61
ALOX15 P16050 1/20 0.61

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
SCHEMBL6513507 0.89 DRD2 (0.62) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL31060769 0.87 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL3261221 0.87 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6526368 0.85 DRD2 (0.85) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8957265 0.85 DRD2 (0.69) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL12126924 0.85 DRD4 (0.73) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL5307095 0.85 DRD2 (0.69) DRD2DRD3HTR1AADRA1DADRA1A
Valeric Acid SCHEMBL11081888 0.84 DRD2 (0.64) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL10414460 0.84 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8363314 0.83 DRD2 (0.77) DRD2DRD3HTR1AADRA1DADRA1A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091490-B2 3-amino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-ones as cyclin dependent kinase inhibitors MEDIZINISCHE UNIVERSITÄT INNSBRUCK (AT) 2021-08-17 US disclosed
US-20200247809-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2020-08-06 US disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
WO-2017083242-A1 INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-05-18 WO disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
EP-1768705-A4 METHOD FOR DETECTING ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA, AND MEASURING THEIR PROGRESSION UNIV CALIFORNIA SYSTEM (US) 2008-01-23 EP disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20070218002-A1 Method for Detecting Alzheimer's Disease and other Forms of Dementia, and Measuring Their Progression ENERGY, UNITED STATES DEPARTMENT OF 2007-09-20 US disclosed
EP-1768705-A2 METHOD FOR DETECTING ALZHEIMER\"S DISEASE AND OTHER FORMS OF DEMENTIA, AND MEASURING THEIR PROGRESSION The Regents of the University of California System (US) 2007-04-04 EP disclosed
WO-2005121796-A2 METHOD FOR DETECTING ALZHEIMER’S DISEASE AND OTHER FORMS OF DEMENTIA, AND MEASURING THEIR PROGRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO 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 (8 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 DRD2 3748/4885DRD3 4258/4885HTR1A 3136/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 DRD2 717/4885DRD3 751/4885HTR1A 415/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO DRD2 3673/4885DRD3 2365/4885HTR1A 4334/4885
US-11091490-B2 3-amino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-ones as cyclin dependent kinase inhibitors CDK4, CDK2, CDK3 DRD2 1913/4885DRD3 1692/4885HTR1A 2012/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C DRD2 202/4885DRD3 339/4885HTR1A 52/4885
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C DRD2 202/4885DRD3 339/4885HTR1A 52/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 DRD2 3775/4885DRD3 3379/4885HTR1A 2399/4885
US-20200247809-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK3, CDK4, CDK2 DRD2 2301/4885DRD3 1696/4885HTR1A 2283/4885

“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.