SCHEMBL7009772

SCHEMBL7009772

CC(c1ccccc1)n1cccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
CYP17A1 P05093 1/20 0.47
MC4R P32245 1/20 0.47
CYP26A1 O43174 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CASP1 P29466 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL12770874 1.00 CYP2D6 (0.54) CYP2D6CYP17A1MC4RCYP26A1MEN1
SCHEMBL12770872 1.00 CYP2D6 (0.54) CYP2D6CYP17A1MC4RCYP26A1MEN1
SCHEMBL9290915 0.82 CYP2D6 (0.47) CYP2D6CYP17A1MC4RCYP26A1MEN1
SCHEMBL23234111 0.74 CYP17A1 (0.81) CYP17A1CYP26A1MEN1KMT2ANPSR1
SCHEMBL27784193 0.74 CYP17A1 (0.81) CYP17A1CYP26A1MEN1KMT2ANPSR1
SCHEMBL4043257 0.74 CYP17A1 (0.81) CYP17A1CYP26A1MEN1KMT2ANPSR1
SCHEMBL13449018 0.74 CYP19A1 (0.45) CYP17A1KDM4EMAPTALDH1A1OPRD1
SCHEMBL270835 0.74 CYP19A1 (0.40) CYP2D6MEN1KMT2AHSD17B10NPSR1
SCHEMBL4880953 0.74 CYP19A1 (0.56) CYP2D6CYP17A1CYP26A1MEN1KMT2A
SCHEMBL925004 0.73 CYP2D6 (0.42) CYP2D6CYP17A1MC4RCYP26A1MEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001851-B Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC 2011-04-20 CN disclosed
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
US-7687537-B2 N-[(4,5-diphenyl-2-thienyl)methyl]amine derivatives, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-7687537-B2 N-[(4,5-diphenyl-2-thienyl)methyl]amine derivatives, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-7524971-B2 1,5-diarylpyrrole derivatives, preparation method thereof and application of same in therapeutics SANOFI - AVENTIS (FR) 2009-04-28 US disclosed
US-7524971-B2 1,5-diarylpyrrole derivatives, preparation method thereof and application of same in therapeutics SANOFI - AVENTIS (FR) 2009-04-28 US disclosed
US-20080015245-A1 1,5-DIARYLPYRROLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-17 US disclosed
US-20080015245-A1 1,5-DIARYLPYRROLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-17 US disclosed
US-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-10 US disclosed
US-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-10 US disclosed
CN-101001851-A Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC (JP) 2007-07-18 CN disclosed
WO-2007068814-A1 DIARYLTRIAZOLMETHYLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 WO disclosed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP disclosed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
CN-1026234-C Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1994-10-19 CN disclosed
CN-1036572-A Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1989-10-25 CN 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 (3 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-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CYP2D6 1248/4885CYP17A1 1647/4885MC4R 196/4885
US-20080015245-A1 1,5-DIARYLPYRROLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS QDPR, DPYD, CD38 CYP2D6 118/4885CYP17A1 380/4885MC4R 1959/4885
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CYP2D6 1248/4885CYP17A1 1647/4885MC4R 196/4885

“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.