SCHEMBL3889782

SCHEMBL3889782

CN(C)C1(c2ccccc2)CCC(/C=C/c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.50
OPRM1 P35372 11/20 0.47
OPRK1 P41145 1/20 0.47
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL3889786 1.00 OPRL1 (0.50) OPRL1OPRM1OPRK1MAOBMAOA
Hydrochloric Acid SCHEMBL3902607 0.99 OPRL1 (0.49) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL3902601 0.99 OPRL1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL3895271 0.88 OPRL1 (0.51) OPRL1OPRM1OPRK1MAOB
SCHEMBL3895269 0.88 OPRL1 (0.51) OPRL1OPRM1OPRK1MAOB
Hydrochloric Acid SCHEMBL3890275 0.86 OPRL1 (0.50) OPRL1OPRM1OPRK1MAOB
Hydrochloric Acid SCHEMBL3890271 0.86 OPRL1 (0.50) OPRL1OPRM1OPRK1MAOB
SCHEMBL4850302 0.73 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL4850308 0.73 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL3144057 0.73 OPRL1 (0.62) OPRL1OPRM1OPRK1

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-1560806-B1 4-ALKYL/4-ALKENYL/4-ALKYNYL METHYL/-1-ARYLCYCLOHEXYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-10 EP claimed
EP-1560806-A2 4-ALKYL/4-ALKENYL/4-ALKYNYL METHYL/-1-ARYLCYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP claimed
WO-2004043900-A2 4-ALKYL/4-ALKENYL/4-ALKYNYL METHYL/-1-ARYLCYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO claimed
US-7507758-B2 4-alkyl-/4-alkenyl-/4-alkynyl methyl/-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2009-03-24 US disclosed
EP-1560806-B1 4-ALKYL/4-ALKENYL/4-ALKYNYL METHYL/-1-ARYLCYCLOHEXYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-10 EP disclosed
US-20050267107-A1 4-alkyl-/4-alkenyl-/4-alkynyl methyl/-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-12-01 US disclosed
EP-1560806-A2 4-ALKYL/4-ALKENYL/4-ALKYNYL METHYL/-1-ARYLCYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043900-A2 4-ALKYL/4-ALKENYL/4-ALKYNYL METHYL/-1-ARYLCYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 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-20050267107-A1 4-alkyl-/4-alkenyl-/4-alkynyl methyl/-1-aryl-cyclohexylamine compounds OPRL1, OPRM1, OGFRL1 OPRL1 1/4885OPRM1 2/4885OPRK1 4/4885

“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.