SCHEMBL6139367

SCHEMBL6139367

N#CC(CCC(=O)O)(CCC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
FFAR1 O14842 2/20 0.37
KIF11 P52732 2/20 0.36
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHEK1 O14757 1/20 0.35
FYN P06241 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
GRK5 P34947 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAPK8 P45983 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL7749391 0.93 MIF (0.37) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL7953170 0.92 KIF11 (0.35) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL6139488 0.92 KIF11 (0.35) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL7749385 0.91 KIF11 (0.38) TSHRFFAR1KIF11CYP2C19CASP1
SCHEMBL7077078 0.91 SLC6A2 (0.32) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL7957554 0.91 SLC6A2 (0.32) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL6544463 0.90 L3MBTL1 (0.41) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL6955463 0.89 ALDH1A1 (0.35) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL7137116 0.89 ALDH1A1 (0.35) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL7750624 0.88 SMN1; SMN2 (0.36) TSHRALDH1A1ESR1CYP3A4ESR2

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 23 patents — showing the first 20. 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
EP-0888304-A1 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 (FR) 1999-01-07 EP claimed
WO-1997032852-A1 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 (FR) 1997-09-12 WO claimed
WO-2023278843-A2 SOLID FORMS OF OSANETANT ACER THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
US-6946269-B2 Alkyl esters of 3-(3,4-dihalophenyl)-2,6-dioxopiperidine-3-propionic acid of use as intermediates SANOFI-AVENTIS (FR) 2005-09-20 US disclosed
US-20040110796-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2, 6 -di -oxopiperidine-3 -propionic acid of use as intermediates SANOFI-AVENTIS (FR) 2004-06-10 US disclosed
US-6686182-B2 ANTAGONISTS OF NATURAL KILLER CELL-3 RECEPTORS SANOFI-SYNTHELABO (FR) 2004-02-03 US disclosed
EP-1019373-B1 1-ACYL-3-PHENYL-3-(3-PIPERIDINOPROPYL)PIPERIDINE DERIVATIVES AS HUMAN NK3 RECEPTOR SELECTIVE ANTAGONISTS SANOFI SYNTHELABO (FR) 2003-11-12 EP disclosed
US-20030032810-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2,6-dioxopoperidine-3-propionic acid of use as intermediates SANOFI-AVENTIS (FR) 2003-02-13 US disclosed
US-6469173-B1 AN INTERMEDIATE OF USE IN THE PREPARATION OF OSANETANT. OSANETANT IS A SPECIFIC ANTAGONIST OF NK3 RECEPTORS SANOFI-SYNTHELABO (FR) 2002-10-22 US disclosed
EP-1241168-A1 Human NK3 receptor-selective antagonist compounds, process for their obtention and pharmaceutical compositons containing them SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
EP-1019373-A1 NOVEL HUMAN NK 3? RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-19 EP 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
EP-0888304-A1 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 (FR) 1999-01-07 EP disclosed
WO-1997032852-A1 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 (FR) 1997-09-12 WO disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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-20030032810-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2,6-dioxopoperidine-3-propionic acid of use as intermediates PCCA, NAPEPLD, DECR2 TSHR 2057/4885ALDH1A1 105/4885ESR1 2753/4885
US-20040110796-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2, 6 -di -oxopiperidine-3 -propionic acid of use as intermediates NAPEPLD, FFAR3, APEH TSHR 1879/4885ALDH1A1 307/4885ESR1 2485/4885

“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.