SCHEMBL3214484

SCHEMBL3214484

CN(C)C1(Cc2ccccc2)CCC(O)(c2cc3ccccc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 4/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL4015732 0.78 OPRL1 (0.59) OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL1119687 0.76 OPRM1 (0.51) OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL23878715 0.75 SIGMAR1 (0.60) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8704495 0.74 OPRL1 (0.57) OPRL1SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL11883601 0.74 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14601364 0.74 OPRM1 (0.76) OPRM1OPRL1OPRK1
SCHEMBL3205899 0.72 OPRL1 (0.47) OPRM1OPRL1OPRK1SIGMAR1CHRM2
SCHEMBL3216799 0.72 OPRM1 (0.47) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL735261 0.72 OPRL1 (0.46) OPRM1OPRL1OPRK1
SCHEMBL29892064 0.71 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1

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
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US claimed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP claimed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US claimed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 WO claimed
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 OPRM1 6/4885OPRL1 4/4885OPRK1 3/4885

“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.