SCHEMBL5364933

SCHEMBL5364933

CC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(Cc2ccsc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM1A O60341 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TACR1 P25103 9/20 0.41
SLC6A4 P31645 3/20 0.40
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA2A P08913 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5366541 0.84 CCR3 (0.46) ALDH1A1OPRL1OPRK1TACR1SLC6A4
SCHEMBL5372806 0.80 SIGMAR1 (0.56) ALDH1A1TACR1SLC6A4CHRM2CHRM3
SCHEMBL14416999 0.78 OPRM1 (0.41) ALDH1A1KDM1AOPRM1OPRL1OPRD1
SCHEMBL5363132 0.77 OPRM1 (0.50) ALDH1A1KDM1AOPRM1OPRL1OPRD1
SCHEMBL5369324 0.72 TACR1 (0.38) OPRM1OPRL1TACR1SLC6A4CHRM2
SCHEMBL5357734 0.72 CHRM5 (0.41) ALDH1A1OPRM1OPRL1TACR1SLC6A4
SCHEMBL5369342 0.72 SLC6A4 (0.38) OPRM1OPRL1TACR1SLC6A4SIGMAR1
SCHEMBL5357598 0.71 TACR1 (0.54) TACR1SLC6A4
SCHEMBL5362767 0.71 MEN1 (0.50) ALDH1A1KDM1AOPRM1OPRD1OPRK1
SCHEMBL5364935 0.71 OPRM1 (0.43) ALDH1A1KDM1AOPRM1OPRL1OPRD1

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 8 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-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-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
WO-2002046156-A2 4,4-DISUBSTITUTED PIPERIDINES FOR USE AS DOPAMINE, SEROTONIN AND NOREPINEPHRINE LIGANDS SEPRACOR, INC. (US) 2002-06-13 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 (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 ALDH1A1 274/4885KDM1A 3773/4885OPRM1 28/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 ALDH1A1 314/4885KDM1A 3470/4885OPRM1 25/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 ALDH1A1 314/4885KDM1A 3470/4885OPRM1 25/4885

“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.