SCHEMBL3453590

SCHEMBL3453590

IC1(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.39
HTR2A P28223 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL10942646 0.87 SLC6A4 (0.47) OPRM1DPP4AKR1C1
SCHEMBL19198870 0.87 SLC6A4 (0.47) OPRM1DPP4AKR1C1
SCHEMBL22879343 0.79 OPRM1 (0.55) OPRM1OPRK1KMT2A
SCHEMBL12293743 0.72 MAOB (0.43) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL2256573 0.69 OPRM1 (0.67) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL2256575 0.69 OPRM1 (0.67) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL9145300 0.67 PNMT (0.44) OPRM1OPRK1OPRL1MAOAMAOB
Ammonia Solution, Strong SCHEMBL1158702 0.67 OPRM1 (0.64) OPRM1OPRK1OPRL1MAOAMAOB
Bromide SCHEMBL28969840 0.67 OPRM1 (0.64) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL6408444 0.65 MAOA (0.60) OPRM1OPRK1OPRL1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 EP disclosed
EP-3269783-B1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-16 EP disclosed
WO-2017165256-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 WO disclosed
US-7820830-B2 Process for the production of carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2010-10-26 US disclosed
EP-1951677-B1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 EP disclosed
US-20080262242-A1 Process For the Production of Carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2008-10-23 US disclosed
EP-1951677-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES Syngeta Participations AG (CH) 2008-08-06 EP disclosed
WO-2007057140-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 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 (1 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-20080262242-A1 Process For the Production of Carboxanilides FGFR2, FGFR4, CCKBR OPRM1 2923/4885OPRK1 1689/4885OPRL1 2801/4885

“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.