SCHEMBL5364935

SCHEMBL5364935

CC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(Cc2ccsc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRL1 P41146 3/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM1A O60341 1/20 0.41
CHRM2 P08172 3/20 0.38
CHRM3 P20309 3/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM1 P11229 2/20 0.35
ARRB1 P49407 1/20 0.35
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL5366545 0.83 CCR3 (0.47) OPRM1OPRL1OPRK1ALDH1A1POLB
SCHEMBL5372808 0.79 SIGMAR1 (0.56) ALDH1A1CHRM2CHRM3SIGMAR1KDM4E
SCHEMBL5369330 0.72 SLC6A9 (0.38) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL5364933 0.71 ALDH1A1 (0.44) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL5363132 0.70 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL5369345 0.70 SLC6A2 (0.36) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL5364931 0.70 OPRM1 (0.41) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL5362770 0.70 MEN1 (0.47) OPRM1OPRD1OPRK1KDM1AKMT2A
SCHEMBL5357737 0.69 P2RX7 (0.38) OPRM1OPRL1ALDH1A1SIGMAR1KMT2A
SCHEMBL5362002 0.69 KDR (0.42) OPRM1ALDH1A1POLBCYP3A4KMT2A

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 6 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
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 OPRM1 28/4885OPRL1 3/4885OPRD1 16/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 OPRM1 25/4885OPRL1 3/4885OPRD1 18/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 OPRM1 25/4885OPRL1 3/4885OPRD1 18/4885

“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.