SCHEMBL1581709

SCHEMBL1581709

O=C1c2ccccc2C(=O)N1CC1CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ACHE P22303 3/20 0.53
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GLS O94925 1/20 0.47
TRPA1 O75762 2/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45

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
SCHEMBL30657544 0.91 CYP1B1 (0.56) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL17525790 0.91 CYP1B1 (0.56) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL28872170 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL383479 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL19406784 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL23439163 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL383480 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL5073226 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL21598051 0.91 CYP1A2 (0.54) CYP1B1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL19398815 0.91 CYP1B1 (0.52) CYP1B1CYP1A2CYP2C9CYP2C19ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107228-B Process for producing (Z)-1-phenyl-1-(N,N-diethylaminocarbonyl)-2-phthalimidomethylcyclopropane SUMITOMO CHEMICAL CO 2011-04-13 CN claimed
CN-101107228-A Process for producing (Z)-1-phenyl-1-(N,N-diethylaminocarbonyl)-2-phthalimidomethylcyclopropane SUMITOMO CHEMICAL CO (JP) 2008-01-16 CN claimed
CN-115109012-A Benzyl arylamine aldehyde dehydrogenase agonist, and synthesis method and application thereof 中国人民解放军海军军医大学 2022-09-27 CN disclosed
WO-2019204477-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2019-10-24 WO disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20110130576-A1 PROCESS FOR PRODUCING (Z)-1-PHENYL-1-(N,N-DIETHYLAMINOCARBONYL)-2-PHTHALIMIDOMETHYLCYCLOPROPANE SUMITOMO CHEMICAL COMPANY, LIMITED 2011-06-02 US disclosed
US-7943785-B2 Process for producing (Z)-1-phenyl-1-(N,N-diethylaminocarbonyl)-2- phthalimidomethylcyclopropane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
EP-1845084-B1 PROCESS FOR PRODUCING (Z)-1-PHENYL-1-(N,N-DIETHYLAMINOCARBONYL)IDOMETHYLCYCLOPROPANE SUMITOMO CHEMICAL CO (JP) 2011-04-20 EP disclosed
CN-101107228-B Process for producing (Z)-1-phenyl-1-(N,N-diethylaminocarbonyl)-2-phthalimidomethylcyclopropane SUMITOMO CHEMICAL CO 2011-04-13 CN disclosed
CN-101107228-A Process for producing (Z)-1-phenyl-1-(N,N-diethylaminocarbonyl)-2-phthalimidomethylcyclopropane SUMITOMO CHEMICAL CO (JP) 2008-01-16 CN disclosed
EP-1845084-A1 PROCESS FOR PRODUCING (Z)-1-PHENYL-1-(N,N-DIETHYLAMINOCARBONYL)IDOMETHYLCYCLOPROPANE Sumitomo Chemical Company, Limited (JP) 2007-10-17 EP disclosed
US-7078428-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US disclosed
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 US disclosed
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUSCHLAND GMBH (DE) 2004-03-11 US disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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 (4 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-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP1B1 1034/4885CYP1A2 1089/4885CYP2C9 1806/4885
US-20110130576-A1 PROCESS FOR PRODUCING (Z)-1-PHENYL-1-(N,N-DIETHYLAMINOCARBONYL)-2-PHTHALIMIDOMETHYLCYCLOPROPANE BPNT1, CPN1, PNN CYP1B1 86/4885CYP1A2 865/4885CYP2C9 480/4885
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CYP1B1 130/4885CYP1A2 99/4885CYP2C9 425/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CYP1B1 113/4885CYP1A2 111/4885CYP2C9 507/4885

“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.