SCHEMBL3208044

SCHEMBL3208044

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.68
OPRL1 P41146 10/20 0.68
OPRK1 P41145 4/20 0.59
OPRD1 P41143 3/20 0.59
TAAR1 Q96RJ0 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B3 P37058 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
Hydrochloric Acid SCHEMBL3208779 0.98 OPRM1 (0.68) OPRM1OPRL1OPRK1OPRD1TAAR1
SCHEMBL3207955 0.90 OPRM1 (0.64) OPRM1OPRL1OPRK1OPRD1TAAR1
Hydrochloric Acid SCHEMBL3207516 0.89 OPRM1 (0.65) OPRM1OPRL1OPRK1OPRD1TAAR1
SCHEMBL28914563 0.86 OPRM1 (0.69) OPRM1OPRL1OPRK1OPRD1TAAR1
SCHEMBL3220333 0.83 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1TAAR1
SCHEMBL3207969 0.83 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1TAAR1
Hydrochloric Acid SCHEMBL3205495 0.82 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1TAAR1
Hydrochloric Acid SCHEMBL3205657 0.82 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1TAAR1
SCHEMBL3208984 0.82 OPRM1 (0.54) OPRM1OPRL1OPRK1OPRD1TAAR1
Hydrochloric Acid SCHEMBL3221215 0.81 OPRM1 (0.55) OPRM1OPRL1OPRK1OPRD1TAAR1

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.