SCHEMBL3216799

SCHEMBL3216799

CN(C)C1(Cc2ccccc2)CCC(O)(c2csc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.47
OPRL1 P41146 6/20 0.47
OPRK1 P41145 2/20 0.47
OGFRL1 Q5TC84 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1A P08908 2/20 0.36
C5AR1 P21730 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 1/20 0.34
FFAR2 O15552 2/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL4016604 0.78 OPRL1 (0.59) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL6707976 0.74 OPRL1 (0.57) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11877743 0.74 CHRM2 (0.51) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL14601364 0.74 OPRM1 (0.76) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL1119687 0.74 OPRM1 (0.51) OPRM1OPRL1OPRK1OGFRL1SLC6A2
SCHEMBL3214484 0.72 OPRM1 (0.47) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL5166608 0.71 OPRM1 (0.44) OPRM1OPRL1OPRK1SLC6A4C5AR1
Hydrochloric Acid SCHEMBL5163755 0.70 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC6A4C5AR1
SCHEMBL5164539 0.69 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC6A4C5AR1
Hydrochloric Acid SCHEMBL5164843 0.69 OPRM1 (0.47) OPRM1OPRL1OPRK1SLC6A4C5AR1

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.