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Sugi Predict / Compounds / SCHEMBL5369345

SCHEMBL5369345

SCHEMBL5369345

CC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.36
▸ SLC6A4 P31645 6/20 0.36
▸ SLC6A3 Q01959 5/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ OPRM1 P35372 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL5357737 0.87 P2RX7 (0.38) OPRM1DRD2DRD4DRD3SIGMAR1
SCHEMBL5366545 0.84 CCR3 (0.47) CCR3OPRM1DRD2DRD4DRD3
SCHEMBL5358535 0.82 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL5369330 0.81 SLC6A9 (0.38) SLC6A2SLC6A4SLC6A3CCR3OPRM1
SCHEMBL5362002 0.78 KDR (0.42) OPRM1DRD2DRD4DRD3MEN1
SCHEMBL5375844 0.78 GAA (0.40) OPRM1MEN1TP53CYP3A4ALOX15
SCHEMBL5365659 0.78 HSD11B1 (0.53) MEN1KMT2ASMN1; SMN2
SCHEMBL5361644 0.75 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CCR3SIGMAR1
SCHEMBL5369342 0.74 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CCR3OPRM1
SCHEMBL5356990 0.74 DRD2 (0.53) SLC6A2SLC6A4SLC6A3CCR3OPRM1

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 SLC6A2 14/4885SLC6A4 10/4885SLC6A3 4/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SLC6A2 14/4885SLC6A4 11/4885SLC6A3 5/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SLC6A2 14/4885SLC6A4 11/4885SLC6A3 5/4885

“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.