SCHEMBL4663874

SCHEMBL4663874

Cc1ccc(C)c(CC2(O)CCC(OCc3ccc(F)cc3)CC2CN(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.36
OPRM1 P35372 3/20 0.34
OPRL1 P41146 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 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
SCHEMBL4664099 0.90 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4663366 0.87 HDAC4 (0.40) HDAC4OPRM1OPRL1OPRD1OPRK1
SCHEMBL4663383 0.85 TRPA1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL4663517 0.84 HDAC4 (0.39) HDAC4OPRM1OPRL1OPRD1OPRK1
SCHEMBL4663390 0.83 OPRM1 (0.45) HDAC4OPRM1OPRL1
SCHEMBL4664084 0.83 OPRD1 (0.40) HDAC4OPRM1OPRL1OPRD1OPRK1
SCHEMBL4665337 0.80 OPRK1 (0.38) HDAC4OPRM1OPRL1OPRD1OPRK1
SCHEMBL4664114 0.80 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL4664221 0.79 OPRM1 (0.40) HDAC4OPRM1OPRL1OPRD1OPRK1
SCHEMBL4665893 0.79 OPRM1 (0.42) HDAC4OPRM1OPRL1OPRD1OPRK1

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 12 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
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 HDAC4 2526/4885OPRM1 5/4885OPRL1 9/4885

“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.