SCHEMBL4664230

SCHEMBL4664230

COc1ccccc1C1(O)CCC(Cc2ccc(Cl)cc2)CC1CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
OPRK1 P41145 6/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
OPRD1 P41143 4/20 0.36
OPRM1 P35372 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC22A1 O15245 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK14 Q16539 1/20 0.35
SLC6A3 Q01959 1/20 0.34
APP P05067 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
SCHEMBL4667118 0.91 CHRM2 (0.38) OPRK1CHRM2CHRM1CHRM4CHRM5
SCHEMBL4663659 0.89 HTR2A (0.39) OPRK1CHRM2CHRM1OPRD1OPRM1
SCHEMBL4665424 0.87 CCR5 (0.38) OPRK1CHRM2CHRM1OPRD1OPRM1
SCHEMBL4665402 0.84 SLC6A4 (0.48) OPRK1CHRM2CHRM1OPRD1OPRM1
SCHEMBL4663488 0.84 OPRK1 (0.38) OPRK1CHRM2CHRM1OPRD1OPRM1
SCHEMBL4667277 0.83 OPRK1 (0.36) OPRK1OPRD1OPRM1CYP2C9CYP2C19
SCHEMBL4664046 0.83 SMN1; SMN2 (0.48) OPRK1CHRM2CHRM1CHRM4CHRM3
SCHEMBL4663503 0.82 MAPK14 (0.41) OPRK1CHRM2CHRM1OPRD1OPRM1
SCHEMBL4665379 0.82 OPRK1 (0.42) OPRK1CHRM2CHRM1OPRD1OPRM1
SCHEMBL4665474 0.82 OPRK1 (0.43) OPRK1CHRM2CHRM1OPRD1OPRM1

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 10 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-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 SCN9A 825/4885OPRK1 6/4885CHRM2 90/4885

“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.