SCHEMBL3211222

SCHEMBL3211222

CN(C)C1(Cc2ccccc2)CCC(O)(Cc2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.51
OPRL1 P41146 10/20 0.51
OPRK1 P41145 3/20 0.51
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
AOC3 Q16853 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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 SCHEMBL3205525 0.99 OPRL1 (0.51) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL3197689 0.88 OPRM1 (0.48) OPRM1OPRL1OPRK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3217030 0.87 OPRM1 (0.49) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL3208984 0.85 OPRM1 (0.54) OPRM1OPRL1OPRK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3221215 0.84 OPRM1 (0.55) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL3209044 0.83 OPRL1 (0.55) OPRM1OPRL1OPRK1TAAR1OGFRL1
Hydrochloric Acid SCHEMBL3208708 0.82 OPRL1 (0.57) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL3210441 0.80 OPRL1 (0.51) OPRM1OPRL1OPRK1TAAR1OGFRL1
SCHEMBL3219971 0.80 OPRL1 (0.51) OPRM1OPRL1OPRK1TAAR1OGFRL1
Hydrochloric Acid SCHEMBL3214662 0.78 OPRL1 (0.53) OPRM1OPRL1OPRK1TAAR1OGFRL1

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.