SCHEMBL3222499

SCHEMBL3222499

CN(C)C1(Cc2ccc(F)cc2)CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRL1 P41146 4/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AQP1 P29972 1/20 0.35
PYCR1 P32322 2/20 0.35
AOC3 Q16853 1/20 0.34
NPC1 O15118 2/20 0.33
SLC6A2 P23975 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3208074 0.84 OPRM1 (0.59) OPRM1OPRL1OPRK1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL734572 0.83 OPRM1 (0.58) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL3218498 0.82 TAAR1 (0.42) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL3216965 0.76 CHRM2 (0.40) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL15681096 0.76 SIGMAR1 (0.45) OPRM1OPRL1OPRK1TAAR1AQP1
SCHEMBL3214681 0.74 OPRM1 (0.41) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL14028061 0.74 AQP1 (0.42) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL4118593 0.73 AQP1 (0.41) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL3209044 0.73 OPRL1 (0.55) OPRM1OPRL1OPRK1TAAR1
Hydrochloric Acid SCHEMBL3208708 0.72 OPRL1 (0.57) OPRM1OPRL1OPRK1

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 3 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

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.