SCHEMBL4665453

SCHEMBL4665453

CN(C)CC1CC(OCc2ccccc2)CCC1(O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.47
OPRL1 P41146 2/20 0.47
SLC6A4 P31645 10/20 0.40
SLC6A2 P23975 9/20 0.40
DPP4 P27487 1/20 0.39
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
SLC22A1 O15245 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM3 P20309 3/20 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
SCHEMBL4665573 0.99 OPRM1 (0.48) OPRM1OPRL1SLC6A4SLC6A2DPP4
SCHEMBL4663732 0.89 HDAC4 (0.38) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL4663713 0.88 HDAC4 (0.38) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL4665454 0.81 OPRM1 (0.50) OPRM1OPRL1SLC6A4SLC6A2DPP4
SCHEMBL4663913 0.81 OPRM1 (0.56) OPRM1OPRL1SLC6A4SLC6A2DPP4
SCHEMBL6942937 0.80 OPRM1 (0.43) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL10772554 0.79 OPRM1 (0.45) OPRM1OPRL1SLC6A4SLC6A2DPP4
SCHEMBL4663929 0.79 OPRM1 (0.48) OPRM1OPRL1SLC6A4SLC6A2DPP4
SCHEMBL27372207 0.78 OPRM1 (0.47) OPRM1OPRL1SLC6A4SLC6A2DPP4
SCHEMBL27372206 0.78 OPRM1 (0.50) OPRM1OPRL1SLC6A4SLC6A2DPP4

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 OPRM1 5/4885OPRL1 9/4885SLC6A4 358/4885

“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.