Sugi Predict

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SCHEMBL5375844

SCHEMBL5375844

CC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(CC(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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) GAAHTTMEN1KMT2AOPRM1
SCHEMBL5369330 0.80 SLC6A9 (0.38) HTTGMNNTP53CYP3A4ALOX15
SCHEMBL5362002 0.80 KDR (0.42) GAAGRIN2BTP53CYP3A4MEN1
SCHEMBL5369345 0.78 SLC6A2 (0.36) HTTTP53CYP3A4ALOX15TSHR
SCHEMBL7328050 0.75 OPRL1 (0.61) GRIN2BOPRM1OPRD1
SCHEMBL7335163 0.75 OPRL1 (0.61) GRIN2BOPRM1OPRD1
SCHEMBL8574851 0.75 OPRL1 (0.61) GRIN2BOPRM1OPRD1
SCHEMBL5361865 0.74 HSD11B1 (0.42) HTTTP53CYP3A4ALOX15TSHR
SCHEMBL5357548 0.73 DRD2 (0.48) GAAKDM4EGRIN2BIGF1RHTT
SCHEMBL5375841 0.73 GAA (0.39) GAAKDM4EGRIN2BIGF1RHTT

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 GAA 232/4885KDM4E 3432/4885GRIN2B 50/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 GAA 287/4885KDM4E 3028/4885GRIN2B 53/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 GAA 287/4885KDM4E 3028/4885GRIN2B 53/4885

“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.