SCHEMBL4665459

SCHEMBL4665459

CN(C)CC1CC(OCc2ccccc2)CCC1(O)Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRL1 P41146 3/20 0.43
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
BCHE P06276 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
DPP4 P27487 1/20 0.36
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35

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
SCHEMBL4664084 0.95 OPRD1 (0.40) OPRM1OPRL1OPRD1OPRK1CARM1
SCHEMBL4663390 0.90 OPRM1 (0.45) OPRM1OPRL1
SCHEMBL4665454 0.90 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1CARM1
SCHEMBL4663366 0.87 HDAC4 (0.40) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL4663463 0.87 SLC6A2 (0.46) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL4665337 0.87 OPRK1 (0.38) OPRM1OPRL1OPRD1OPRK1CARM1
SCHEMBL4663408 0.84 OPRM1 (0.48) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL10772554 0.83 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1DPP4
SCHEMBL4664114 0.82 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL4663915 0.82 OPRM1 (0.43) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US claimed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US claimed
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP claimed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
EP-1368299-B1 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2006-07-26 EP disclosed
EP-1571140-A1 C-substituted cyclohexylmethylamine derivatives Grünenthal GmbH (DE) 2005-09-07 EP disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US disclosed
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT OPRM1 5/4885OPRL1 9/4885OPRD1 25/4885

“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.