SCHEMBL3219971

SCHEMBL3219971

CN(C)C1(Cc2ccccc2)CCC(O)(Cc2cccc(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.51
OPRM1 P35372 10/20 0.50
OPRK1 P41145 3/20 0.50
TAAR1 Q96RJ0 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 2/20 0.39
METAP2 P50579 1/20 0.39
OPRD1 P41143 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
TRPA1 O75762 1/20 0.38
OGFRL1 Q5TC84 1/20 0.37

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
SCHEMBL3210441 1.00 OPRL1 (0.51) OPRL1OPRM1OPRK1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL3214662 0.99 OPRL1 (0.53) OPRL1OPRM1OPRK1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL3222678 0.99 OPRL1 (0.53) OPRL1OPRM1OPRK1TAAR1SLC6A2
SCHEMBL3211321 0.88 OPRM1 (0.53) OPRL1OPRM1OPRK1TAAR1SLC6A2
SCHEMBL3218947 0.88 OPRM1 (0.50) OPRL1OPRM1OPRK1TAAR1MEN1
SCHEMBL3209044 0.87 OPRL1 (0.55) OPRL1OPRM1OPRK1TAAR1GRIN2B
Hydrochloric Acid SCHEMBL3203734 0.87 OPRM1 (0.51) OPRL1OPRM1OPRK1TAAR1MEN1
Hydrochloric Acid SCHEMBL3214758 0.87 OPRM1 (0.54) OPRL1OPRM1OPRK1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL3208708 0.86 OPRL1 (0.57) OPRL1OPRM1OPRK1GRIN2BOPRD1
SCHEMBL3211222 0.80 OPRM1 (0.51) OPRL1OPRM1OPRK1TAAR1OPRD1

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.