SCHEMBL4021382

SCHEMBL4021382

CN(C)C1(c2ccccc2)CCC(O)(CCc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 1.00
OPRL1 P41146 18/20 1.00
OPRK1 P41145 6/20 0.82
OPRD1 P41143 2/20 0.82

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
SCHEMBL4020726 0.90 OPRM1 (1.00) OPRM1OPRL1OPRK1OPRD1
SCHEMBL4022754 0.90 OPRM1 (0.82) OPRM1OPRL1OPRK1OPRD1
SCHEMBL28914563 0.83 OPRM1 (0.69) OPRM1OPRL1OPRK1OPRD1
SCHEMBL3208044 0.81 OPRM1 (0.68) OPRM1OPRL1OPRK1OPRD1
Hydrochloric Acid SCHEMBL3208779 0.79 OPRM1 (0.68) OPRM1OPRL1OPRK1OPRD1
SCHEMBL3207955 0.78 OPRM1 (0.64) OPRM1OPRL1OPRK1OPRD1
SCHEMBL3413521 0.77 OPRL1 (1.00) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL3207516 0.77 OPRM1 (0.65) OPRM1OPRL1OPRK1OPRD1
SCHEMBL13695532 0.76 OPRL1 (0.79) OPRM1OPRL1OPRK1
SCHEMBL4204848 0.76 OPRM1 (0.60) OPRM1OPRL1OPRK1OPRD1

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
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 OPRM1 7/4885OPRL1 3/4885OPRK1 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.