SCHEMBL4663447

SCHEMBL4663447

CN(C)C(c1ccccc1)C1CC(c2ccccc2)CCC1(O)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.38
OPRL1 P41146 4/20 0.38
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
SLC18A3 Q16572 3/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TRPA1 O75762 1/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL4663964 0.94 OPRM1 (0.39) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL4663718 0.89 OPRL1 (0.34) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL5158078 0.81 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL4664188 0.76 TRPA1 (0.35) SLC18A3TRPA1SIGMAR1
SCHEMBL5159886 0.75 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1SLC18A3
Hydrochloric Acid SCHEMBL7737764 0.74 OPRM1 (0.41) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL4665492 0.73 TRPA1 (0.33) SLC18A3TRPA1SIGMAR1
SCHEMBL27486371 0.73 OPRL1 (0.34) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL4667252 0.72 OPRM1 (0.37) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL6681587 0.72 SLC6A4 (0.41) OPRM1SIGMAR1

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 OPRM1 5/4885OPRL1 9/4885OPRD1 25/4885

“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.