SCHEMBL1328245

SCHEMBL1328245

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
ALOX5 P09917 1/20 0.41
HSD11B1 P28845 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
PKM P14618 1/20 0.33
CES2 O00748 1/20 0.32

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
SCHEMBL644429 0.83 OPRM1 (0.45) OPRM1OPRK1ALOX5KMT2AALDH1A1
SCHEMBL1326507 0.83 OPRM1 (0.37) OPRM1OPRK1ALOX5MEN1KMT2A
SCHEMBL493263 0.83 OPRM1 (0.37) OPRM1OPRK1ALOX5MEN1KMT2A
SCHEMBL493293 0.82 OPRM1 (0.35) OPRM1OPRK1ALOX5MEN1KMT2A
SCHEMBL493415 0.81 OPRM1 (0.35) OPRM1OPRK1ALOX5MEN1KMT2A
SCHEMBL1328757 0.79 HSD11B1 (0.39) OPRM1HSD11B1MEN1KMT2A
SCHEMBL1326803 0.78 OPRM1 (0.36) OPRM1OPRK1ALOX5MEN1KMT2A
SCHEMBL493784 0.78 OPRM1 (0.36) OPRM1OPRK1ALOX5KDM4EMAPT
SCHEMBL494016 0.78 OPRM1 (0.41) OPRM1OPRK1ALOX5MEN1KMT2A
SCHEMBL493305 0.78 OPRM1 (0.34) OPRM1OPRK1ALOX5MEN1KMT2A

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 5 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-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-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 37/4885ALOX5 2705/4885

“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.