SCHEMBL4185736

SCHEMBL4185736

Nc1ccc2c(c1)CCN(Cc1nc[nH]n1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.40
DHFR P00374 2/20 0.39
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
CA9 Q16790 2/20 0.37
ASIC3 Q9UHC3 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL6970695 0.83 DRD4 (0.46) CD44DHFRMAPK1KDM4EHTT
SCHEMBL27362483 0.82 OPRM1 (0.51) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL6967728 0.78 CD44 (0.39) CD44DHFRMAPK1DRD4DRD3
SCHEMBL4178669 0.75 DHFR (0.38) CD44DHFRKDM4EDRD4DRD3
SCHEMBL2838994 0.75 ALOX15 (0.51) CD44DHFRKDM4EDRD4DRD3
SCHEMBL6972430 0.74 DRD2 (0.53) DHFRDRD4DRD3DRD2CA9
SCHEMBL6957984 0.74 DRD2 (0.56) DHFRMAPK1KDM4EHTTDRD4
SCHEMBL6973388 0.73 TMEM97 (0.60) DHFRDRD4DRD3DRD2OPRM1
SCHEMBL6968178 0.73 DHFR (0.41) DHFRMAPK1KDM4EHTTDRD4
SCHEMBL6962643 0.72 ACACB (0.51) KDM4EHTTDRD4DRD3CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP claimed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP claimed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO claimed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
CN-1515259-A 4-aminosubstituted-2-substituted-1,2,3,4-tetrahydroquinoline used as CETP inhibitor �������Զ�˹�Ʒ� 2004-07-28 CN disclosed
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP disclosed
CN-1058709-C Amide compounds for medical treatment PFIZER (US) 2000-11-22 CN disclosed
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 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 (2 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-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD CD44 4827/4885DHFR 1125/4885MAPK1 3481/4885
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP CD44 4819/4885DHFR 1607/4885MAPK1 1368/4885

“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.