SCHEMBL5382074

SCHEMBL5382074

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

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.68
OPRM1 P35372 13/20 0.67
OPRK1 P41145 4/20 0.67

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
SCHEMBL4357610 0.82 OPRL1 (0.70) OPRL1OPRM1OPRK1
SCHEMBL11244959 0.81 SLC6A3 (0.47) OPRL1OPRM1OPRK1
SCHEMBL3413521 0.81 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL317530 0.81 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL4352504 0.81 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL3144048 0.80 OPRL1 (0.62) OPRL1OPRM1OPRK1
SCHEMBL5156523 0.80 OPRL1 (0.62) OPRL1OPRM1OPRK1
SCHEMBL11466330 0.80 SLC18A3 (0.46) OPRL1OPRM1OPRK1
SCHEMBL11831180 0.80 SLC18A3 (0.46) OPRL1OPRM1OPRK1
SCHEMBL11823390 0.80 SLC18A3 (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020120606-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 WO disclosed
EP-2649044-B1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2017-09-20 EP disclosed
EP-1487778-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS GRUENENTHAL GMBH (DE) 2012-07-11 EP disclosed
US-7211694-B2 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2007-05-01 US disclosed
US-20050187220-A1 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2005-08-25 US disclosed
EP-1487778-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2004-12-22 EP disclosed
WO-2003080557-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2003-10-02 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-20050187220-A1 Substituted 4-aminocyclohexanols ADRA2C, OPRK1, OPRD1 OPRL1 4/4885OPRM1 6/4885OPRK1 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.