SCHEMBL4663376

SCHEMBL4663376

CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CCR3 P51677 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4663553 0.95 TRPA1 (0.41) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663475 0.90 OPRD1 (0.39) TRPA1MEN1KMT2AOPRL1OPRM1
SCHEMBL4665434 0.90 GMNN (0.39) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4663618 0.90 GMNN (0.39) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4665645 0.89 OPRM1 (0.39) TRPA1MEN1POLBKMT2AOPRL1
SCHEMBL4665584 0.89 OPRD1 (0.37) TRPA1MEN1KMT2AOPRM1OPRD1
SCHEMBL7134305 0.88 OPRK1 (0.39) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL4663389 0.88 SMN1; SMN2 (0.39) TRPA1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4665479 0.87 MEN1 (0.39) TRPA1MEN1KMT2AOPRL1OPRM1
SCHEMBL4663495 0.87 CCR3 (0.43) TRPA1OPRM1OPRD1OPRK1CCR3

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 8 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-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 155/4885MEN1 3223/4885POLB 4022/4885

“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.