SCHEMBL4663553

SCHEMBL4663553

CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
AQP1 P29972 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
EPHX2 P34913 1/20 0.34
MAPK14 Q16539 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL4663376 0.95 TRPA1 (0.39) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663618 0.94 GMNN (0.39) TRPA1AQP1OPRM1OPRD1OPRK1
SCHEMBL4665434 0.94 GMNN (0.39) TRPA1AQP1OPRM1OPRD1OPRK1
SCHEMBL4663475 0.90 OPRD1 (0.39) TRPA1OPRM1OPRD1OPRK1TAAR1
SCHEMBL4665584 0.88 OPRD1 (0.37) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663731 0.88 OPRM1 (0.36) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663389 0.88 SMN1; SMN2 (0.39) TRPA1OPRM1OPRD1OPRK1TAAR1
SCHEMBL4663495 0.87 CCR3 (0.43) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663522 0.86 TRPA1 (0.44) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663615 0.86 TRPA1 (0.35) TRPA1OPRM1OPRD1OPRK1MAPK14

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 TRPA1 155/4885AQP1 3783/4885OPRM1 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.