SCHEMBL3086771

SCHEMBL3086771

COc1cccc(C2(O)CCCNC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SLC6A2 P23975 4/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRND Q07001 1/20 0.46
SLC6A4 P31645 4/20 0.43
SLC22A1 O15245 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.43

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
Hydrochloric Acid SCHEMBL9311051 0.99 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL15820571 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL9310147 0.90 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9087003 0.85 XDH (0.40) BCHE
Hydrochloric Acid SCHEMBL31083972 0.83 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1660644 0.83 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6831189 0.83 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL8959911 0.82 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL737743 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4180702 0.82 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US disclosed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US disclosed
US-7217729-B2 Substituted indoles, process for the production thereof and use thereof for combatting pain GRUNENTHAL GMBH (DE) 2007-05-15 US disclosed
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP disclosed
EP-1472221-B1 SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2006-03-22 EP disclosed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO disclosed
US-20040225003-A1 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies GRUNENTHAL GMBH (DE) 2004-11-11 US disclosed
EP-0192522-B1 1-ETHYL- 3-HYDROXY-3-PHENYLPIPERIDINE, PROCESS FOR ITS PREPARATION AND ITS THERAPEUTICAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1988-08-31 EP disclosed
US-4680302-A ANTIDEPRESSANTS LABORATOIRE L. LAFON (FR) 1987-07-14 US disclosed
EP-0192522-A1 1-ethyl- 3-hydroxy-3-phenylpiperidine, process for its preparation and its therapeutical use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-08-27 EP 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-20040225003-A1 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies HNMT, HTR6, HTR3C OPRM1 287/4885OPRD1 319/4885OPRK1 76/4885
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use OPRK1, OPRD1, OPRL1 OPRM1 4/4885OPRD1 2/4885OPRK1 1/4885

“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.