SCHEMBL5361785

SCHEMBL5361785

COc1ccc(C(C2CCCC2)N2CCC(CO)(c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.58
OPRD1 P41143 4/20 0.58
OPRK1 P41145 4/20 0.58
OPRL1 P41146 4/20 0.58
CHRM1 P11229 5/20 0.49
CHRM2 P08172 1/20 0.49
CHRM5 P08912 4/20 0.41
CHRM3 P20309 4/20 0.41
CCR5 P51681 1/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPY1R P25929 2/20 0.40
GAA P10253 1/20 0.40
GRIN2B Q13224 1/20 0.40
NPY2R P49146 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5356998 0.84 OPRL1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL7696524 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL5361649 0.76 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL5361779 0.74 MEN1 (0.45) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL20804480 0.74 SIGMAR1 (0.59) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL10057690 0.72 CYP2D6 (0.62) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL13939172 0.70 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1
SCHEMBL21964989 0.70 POLB (0.48) OPRM1OPRL1SLC6A4SLC6A3GRIN2B
SCHEMBL985496 0.69 F10 (0.45) OPRM1OPRL1SLC6A4SLC6A3GRIN2B
SCHEMBL26358348 0.69 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CHRM1

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-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-09-27 US disclosed
US-7217823-B2 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-05-15 US disclosed
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HOEMANN MICHAEL Z (US) 2004-07-22 US disclosed
US-6656953-B2 Ligands for receptors such as dopamine, serotonin, or norepinephrine transporters; broad uses claimed, such as pain reliever and antidepressant SEPRACOR INC. 2003-12-02 US disclosed
US-20020177607-A1 4,4-Disubstitued piperidines, and methods of use thereof SEPRACOR INC. 2002-11-28 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 (3 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-20020177607-A1 4,4-Disubstitued piperidines, and methods of use thereof HTR2C, HTR5A, OPRL1 OPRM1 28/4885OPRD1 16/4885OPRK1 15/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 OPRM1 25/4885OPRD1 18/4885OPRK1 15/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 OPRM1 25/4885OPRD1 18/4885OPRK1 15/4885

“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.