SCHEMBL4665584

SCHEMBL4665584

Cc1cccc(CC2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.37
OPRK1 P41145 6/20 0.37
OPRM1 P35372 5/20 0.37
SSTR4 P31391 2/20 0.36
SSTR1 P30872 1/20 0.36
TRPA1 O75762 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
SLC22A1 O15245 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4663475 0.92 OPRD1 (0.39) OPRD1OPRK1OPRM1TRPA1SLC6A2
SCHEMBL4663413 0.90 CXCR4 (0.39) OPRD1OPRK1OPRM1SSTR4SSTR1
SCHEMBL4663389 0.89 SMN1; SMN2 (0.39) OPRD1OPRK1OPRM1SSTR4SSTR1
SCHEMBL4663376 0.89 TRPA1 (0.39) OPRD1OPRK1OPRM1TRPA1MEN1
SCHEMBL4663553 0.88 TRPA1 (0.41) OPRD1OPRK1OPRM1TRPA1
SCHEMBL7131162 0.88 CXCR4 (0.32) OPRD1OPRK1OPRM1
SCHEMBL4665484 0.87 SLC6A2 (0.45) OPRD1OPRK1OPRM1SLC6A2SLC6A4
SCHEMBL4663464 0.85 OPRK1 (0.38) OPRD1OPRK1OPRM1TRPA1SLC6A2
SCHEMBL4663383 0.85 TRPA1 (0.35) OPRD1OPRK1OPRM1TRPA1
SCHEMBL4663366 0.83 HDAC4 (0.40) OPRD1OPRK1OPRM1SLC6A2SLC6A4

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 OPRD1 25/4885OPRK1 6/4885OPRM1 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.