SCHEMBL3207664

SCHEMBL3207664

CN(C)C1(CCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.42
OPRL1 P41146 7/20 0.42
OPRK1 P41145 3/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
OPRD1 P41143 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 1/20 0.36

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 SCHEMBL3927269 0.98 OPRM1 (0.43) OPRM1OPRL1OPRK1CHRM2CHRM1
SCHEMBL3208074 0.84 OPRM1 (0.59) OPRM1OPRL1OPRK1CHRM2CHRM1
Hydrochloric Acid SCHEMBL734572 0.83 OPRM1 (0.58) OPRM1OPRL1OPRK1POLBGAA
SCHEMBL3208044 0.78 OPRM1 (0.68) OPRM1OPRL1OPRK1CHRM2CHRM1
SCHEMBL7616968 0.78 OPRM1 (0.55) OPRM1OPRL1OPRK1OPRD1POLB
Hydrochloric Acid SCHEMBL3208779 0.76 OPRM1 (0.68) OPRM1OPRL1OPRK1CHRM2CHRM1
SCHEMBL15681095 0.76 SIGMAR1 (0.47) OPRM1OPRL1OPRK1SLC6A3
SCHEMBL4118117 0.76 OPRM1 (0.45) OPRM1OPRL1OPRK1CHRM2CHRM1
SCHEMBL12346120 0.75 L3MBTL1 (0.40) OPRM1OPRL1POLBGAAL3MBTL1
SCHEMBL12346115 0.75 ALDH1A1 (0.49) OPRM1OPRL1OPRD1GAA

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 5 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 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.