SCHEMBL644429

SCHEMBL644429

CN(C)C(c1cccs1)C1CCC(C(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 0.45
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
PKM P14618 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KEAP1 Q14145 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL1328245 0.83 OPRM1 (0.43) OPRM1OPRK1ALOX5GAAALDH1A1
SCHEMBL1326803 0.81 OPRM1 (0.36) OPRM1OPRK1ALOX5ALDH1A1MAPT
SCHEMBL493784 0.81 OPRM1 (0.36) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL494016 0.81 OPRM1 (0.41) OPRM1OPRK1ALOX5SMN1; SMN2GAA
SCHEMBL493283 0.80 OPRM1 (0.35) OPRM1OPRK1ALOX5SMN1; SMN2ALDH1A1
SCHEMBL3587489 0.78 MAPT (0.41) OPRM1OPRK1ALOX5SMN1; SMN2ALDH1A1
SCHEMBL493305 0.78 OPRM1 (0.34) OPRM1OPRK1ALOX5ALDH1A1MAPT
SCHEMBL493263 0.78 OPRM1 (0.37) OPRM1OPRK1ALOX5ALDH1A1MAPT
SCHEMBL1326507 0.78 OPRM1 (0.37) OPRM1OPRK1ALOX5GAAALDH1A1
SCHEMBL494017 0.78 RAB9A (0.41) OPRM1OPRK1SMN1; SMN2GAAALDH1A1

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
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885OPRK1 37/4885ALOX5 2705/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A OPRM1 91/4885OPRK1 30/4885ALOX5 1194/4885

“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.