SCHEMBL4663399

SCHEMBL4663399

Cc1ccc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.49
OPRL1 P41146 2/20 0.49
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRK1 P41145 12/20 0.43
OPRD1 P41143 7/20 0.43
DPP4 P27487 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC22A1 O15245 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL4663913 0.93 OPRM1 (0.56) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL27372206 0.92 OPRM1 (0.50) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4663544 0.90 OPRM1 (0.48) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4663400 0.90 OPRM1 (0.48) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4665456 0.90 OPRM1 (0.48) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4663523 0.90 OPRM1 (0.48) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4664221 0.89 OPRM1 (0.40) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4664147 0.89 OPRM1 (0.47) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4663634 0.89 OPRM1 (0.49) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL4663945 0.89 OPRM1 (0.46) OPRM1OPRL1ALDH1A1SMN1; SMN2OPRK1

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 OPRM1 5/4885OPRL1 9/4885ALDH1A1 2922/4885

“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.