SCHEMBL4663697

SCHEMBL4663697

COc1cccc(CC2CCC(O)(c3ccc(Br)c(F)c3)C(CN(C)C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.51
OPRD1 P41143 6/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC22A1 O15245 2/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4667196 0.89 OPRK1 (0.52) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4665394 0.88 OPRK1 (0.65) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4663858 0.85 SLC6A2 (0.53) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4664145 0.85 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4663394 0.84 OPRK1 (0.53) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4665364 0.84 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4663604 0.84 OPRK1 (0.59) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL8022895 0.83 OPRK1 (0.64) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4663720 0.83 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4SLC22A1
SCHEMBL4663516 0.83 OPRK1 (0.51) OPRK1OPRD1SLC6A2SLC6A4SLC22A1

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 OPRK1 6/4885OPRD1 25/4885SLC6A2 611/4885

“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.