SCHEMBL6544463

SCHEMBL6544463

COC(=O)CCC(C#N)(CCC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
ESR2 Q92731 1/20 0.34
FFAR1 O14842 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL3519610 0.95 L3MBTL1 (0.45) L3MBTL1POLBCASP1HSD17B10CNR1
SCHEMBL7752063 0.92 L3MBTL1 (0.38) L3MBTL1POLBCASP1HSD17B10TDP1
SCHEMBL16691418 0.90 L3MBTL1 (0.41) L3MBTL1POLBCASP1HSD17B10CNR1
SCHEMBL6139367 0.90 TSHR (0.38) CASP1HSD17B10TSHRCYP2C19ALDH1A1
SCHEMBL7752058 0.89 L3MBTL1 (0.42) L3MBTL1POLBCASP1HSD17B10CNR1
SCHEMBL7750624 0.88 SMN1; SMN2 (0.36) L3MBTL1POLBCASP1HSD17B10TSHR
SCHEMBL7752073 0.86 FFAR1 (0.33) L3MBTL1CASP1HSD17B10CYP2C19KDM4E
SCHEMBL7749391 0.83 MIF (0.37) TSHRCYP2C19ALDH1A1ESR1CYP3A4
SCHEMBL7744793 0.83 HSD17B10 (0.38) CASP1HSD17B10CNR1CNR2TSHR
SCHEMBL6139488 0.82 KIF11 (0.35) POLBCASP1HSD17B10TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888304-B1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI SYNTHELABO (FR) 2001-10-04 EP claimed
US-6008360-A Substituted 3-aryl-3-carboxyalkyl glutaramides, method for preparing same by 4-arylo-4-cyanoheptane dicarboxylic acid cyclisation, and use thereof for preparing 3-aryl-3-hydroxyalkylpiperidines SANOFI-SYNTHELABO (FR) 1999-12-28 US claimed
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
US-6294537-B1 NEUROKININS USED FOR TREATMENT OF DISEASES SANOFI-SYNTHELABO (FR) 2001-09-25 US disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US disclosed
US-6242607-B1 SUCH AS 4-CYANO-4-(3,4-DICHLOROPHENYL)HEPTANEDIOIC ACID USED AS ANTAGONISTS OF NEUROKININES SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
US-6124316-A ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2000-09-26 US disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 US disclosed
US-6008360-A Substituted 3-aryl-3-carboxyalkyl glutaramides, method for preparing same by 4-arylo-4-cyanoheptane dicarboxylic acid cyclisation, and use thereof for preparing 3-aryl-3-hydroxyalkylpiperidines SANOFI-SYNTHELABO (FR) 1999-12-28 US disclosed
US-5942523-A NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES SANOFI (FR) 1999-08-24 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 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 (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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 L3MBTL1 4851/4885POLB 4487/4885CASP1 3193/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 L3MBTL1 4851/4885POLB 4487/4885CASP1 3193/4885

“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.