SCHEMBL4014117

SCHEMBL4014117

CN(C)C1(c2ccccc2)CCC(O)(c2cc3ccccc3o2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.59
OPRM1 P35372 16/20 0.59
OPRK1 P41145 4/20 0.59
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL3205899 0.78 OPRL1 (0.47) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL1119612 0.76 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL4138539 0.76 KDM4E (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3413521 0.72 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL13695532 0.70 OPRL1 (0.79) OPRL1OPRM1OPRK1
SCHEMBL1120165 0.70 OPRL1 (0.63) OPRL1OPRM1OPRK1
SCHEMBL4015732 0.70 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL8327212 0.69 HTR2B (0.59) OPRL1
SCHEMBL4016613 0.69 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL1119709 0.69 OPRL1 (0.77) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406858-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS GRUENENTHAL GMBH (DE) 2009-07-01 EP claimed
US-7183436-B2 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2007-02-27 US claimed
US-20040236104-A1 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2004-11-25 US claimed
EP-1406858-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003008370-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2003-01-30 WO claimed
EP-1406858-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS GRUENENTHAL GMBH (DE) 2009-07-01 EP disclosed
US-7183436-B2 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2007-02-27 US disclosed
US-20040236104-A1 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2004-11-25 US disclosed
EP-1406858-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008370-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2003-01-30 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-20040236104-A1 Substituted 4-aminocyclohexanols CNR2, OPRK1, OPRL1 OPRL1 3/4885OPRM1 7/4885OPRK1 2/4885

“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.