SCHEMBL4665484

SCHEMBL4665484

COc1cccc(CC2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.45
SLC6A4 P31645 9/20 0.45
OPRM1 P35372 6/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
SLC22A1 O15245 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR3 P51677 3/20 0.40
EED O75530 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL4665646 0.93 OPRK1 (0.48) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4663475 0.89 OPRD1 (0.39) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4663491 0.88 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4665584 0.87 OPRD1 (0.37) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4664062 0.87 OPRK1 (0.48) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4663389 0.87 SMN1; SMN2 (0.39) OPRM1OPRD1OPRK1
SCHEMBL4663376 0.86 TRPA1 (0.39) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL4663553 0.86 TRPA1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL4663363 0.84 OPRK1 (0.60) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL19253141 0.84 OPRK1 (0.60) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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-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

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 SLC6A2 611/4885SLC6A4 358/4885OPRM1 5/4885

“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.