SCHEMBL493283

SCHEMBL493283

CC(=NO)C1CCC(C(c2cccs2)N(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL1326803 0.80 OPRM1 (0.36) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL644429 0.80 OPRM1 (0.45) OPRM1OPRK1SMN1; SMN2ALOX5MAPT
SCHEMBL493961 0.79 OPRM1 (0.33) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL2310158 0.79 OPRM1 (0.33) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL493959 0.79 OPRM1 (0.33) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL493361 0.78 OPRM1 (0.34) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL492937 0.78 OPRM1 (0.33) OPRM1KDM4EALDH1A1
SCHEMBL493784 0.77 OPRM1 (0.36) OPRM1OPRK1ALOX5MAPTKDM4E
SCHEMBL3587489 0.77 MAPT (0.41) OPRM1OPRK1SMN1; SMN2ALOX5MAPT
SCHEMBL493281 0.77 OPRM1 (0.34) OPRM1OPRK1ALOX5MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 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

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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885OPRK1 37/4885SMN1; SMN2 1867/4885

“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.