SCHEMBL3209044

SCHEMBL3209044

CN(C)C1(Cc2ccccc2)CCC(O)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.55
OPRM1 P35372 10/20 0.54
OPRK1 P41145 2/20 0.54
OPRD1 P41143 1/20 0.41
GRIN2B Q13224 3/20 0.41
OGFRL1 Q5TC84 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
TAAR1 Q96RJ0 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 SCHEMBL3208708 0.99 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL3220333 0.89 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL3207969 0.89 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1OGFRL1
Hydrochloric Acid SCHEMBL3205657 0.88 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1OGFRL1
Hydrochloric Acid SCHEMBL3205495 0.88 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL3210441 0.87 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL3219971 0.87 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1GRIN2B
Hydrochloric Acid SCHEMBL3214662 0.86 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1GRIN2B
Hydrochloric Acid SCHEMBL3222678 0.86 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL3211222 0.83 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1OGFRL1

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 OPRL1 4/4885OPRM1 6/4885OPRK1 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.