Sugi Predict

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SCHEMBL5369342

SCHEMBL5369342

CC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.38
▸ TACR1 P25103 7/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ TMEM97 Q5BJF2 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
SCHEMBL5357734 0.87 CHRM5 (0.41) SLC6A4TACR1OPRM1OPRL1
SCHEMBL5366541 0.86 CCR3 (0.46) SLC6A4TACR1KCNH2OPRL1CCR3
SCHEMBL5361644 0.85 SLC6A4 (0.41) SLC6A4TACR1SLC6A2SLC6A3CCR3
SCHEMBL5369324 0.83 TACR1 (0.38) SLC6A4TACR1KCNH2SLC6A2SLC6A3
SCHEMBL5358531 0.82 SLC6A4 (0.41) SLC6A4TACR1KCNH2SLC6A2SLC6A3
SCHEMBL5365655 0.81 HSD11B1 (0.51) —
SCHEMBL5375841 0.81 GAA (0.39) OPRM1
SCHEMBL5361995 0.81 KMT2A (0.43) TACR1OPRM1OPRL1
SCHEMBL14417149 0.79 CCR3 (0.39) SLC6A4KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL5356990 0.77 DRD2 (0.53) SLC6A4TACR1SLC6A2SLC6A3OPRM1

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 SLC6A4 10/4885TACR1 53/4885KCNH2 1551/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SLC6A4 11/4885TACR1 46/4885KCNH2 1413/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SLC6A4 11/4885TACR1 46/4885KCNH2 1413/4885

“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.