SCHEMBL4664004

SCHEMBL4664004

CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 1/20 0.37
TRPA1 O75762 4/20 0.36
OPRM1 P35372 5/20 0.35
SLC6A2 P23975 4/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A1 O15245 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LSS P48449 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL4663513 0.99 SLC6A4 (0.36) SLC6A4SLC6A3TRPA1OPRM1SLC6A2
SCHEMBL4664050 0.88 TRPA1 (0.45) SLC6A4TRPA1OPRM1SLC6A2OPRD1
SCHEMBL4663717 0.87 TRPA1 (0.44) SLC6A4SLC6A3TRPA1OPRM1SLC6A2
SCHEMBL4664121 0.82 SLC6A4 (0.38) SLC6A4SLC6A3TRPA1OPRM1SLC6A2
SCHEMBL4663731 0.81 OPRM1 (0.36) SLC6A4SLC6A3TRPA1OPRM1SLC6A2
SCHEMBL4665379 0.81 OPRK1 (0.42) SLC6A4SLC6A3OPRM1SLC6A2OPRD1
SCHEMBL4665614 0.79 OPRM1 (0.35) SLC6A4SLC6A3TRPA1OPRM1SLC6A2
SCHEMBL4663468 0.78 SLC6A4 (0.53) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4664046 0.78 SMN1; SMN2 (0.48) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4663567 0.78 SMN1; SMN2 (0.43) SLC6A4SLC6A3OPRM1SLC6A2OPRD1

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-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 SLC6A4 358/4885SLC6A3 995/4885TRPA1 155/4885

“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.