SCHEMBL4663683

SCHEMBL4663683

CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.41
SLC6A3 Q01959 6/20 0.41
OPRK1 P41145 5/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 4/20 0.41
SLC6A2 P23975 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TACR3 P29371 2/20 0.38
SLC22A1 O15245 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ARRB1 P49407 1/20 0.37

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
SCHEMBL4665418 0.93 OPRM1 (0.41) SLC6A4SLC6A3OPRK1OPRM1OPRD1
SCHEMBL4665356 0.91 OPRL1 (0.46) SLC6A4SLC6A3OPRK1OPRM1OPRD1
SCHEMBL4665358 0.90 SLC6A4 (0.46) SLC6A4SLC6A3OPRK1OPRM1OPRD1
SCHEMBL4664126 0.90 OPRM1 (0.42) SLC6A4OPRK1OPRM1OPRD1SLC6A2
SCHEMBL4663414 0.89 OPRM1 (0.39) OPRK1OPRM1OPRD1
SCHEMBL4663703 0.88 OPRM1 (0.42) SLC6A4OPRK1OPRM1OPRD1SLC6A2
SCHEMBL4663626 0.88 OPRK1 (0.41) SLC6A4OPRK1OPRM1OPRD1SLC6A2
SCHEMBL4665507 0.88 SMN1; SMN2 (0.51) SLC6A4OPRK1OPRM1OPRD1SLC6A2
SCHEMBL4665893 0.87 OPRM1 (0.42) SLC6A4OPRK1OPRM1OPRD1SLC6A2
SCHEMBL4664228 0.86 OPRK1 (0.41) SLC6A4OPRK1OPRM1OPRD1SLC6A2

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 11 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-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 SLC6A4 358/4885SLC6A3 995/4885OPRK1 6/4885

“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.