SCHEMBL5361995

SCHEMBL5361995

CC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(CC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TACR1 P25103 1/20 0.42
KDR P35968 1/20 0.42
DRD2 P14416 2/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
USP14 P54578 1/20 0.40
POLB P06746 1/20 0.39
OPRM1 P35372 2/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRL1 P41146 1/20 0.39
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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 0.83 CCR3 (0.46) KMT2AMEN1TACR1DRD2POLB
SCHEMBL5369324 0.82 TACR1 (0.38) TACR1OPRM1OPRL1
SCHEMBL14417130 0.81 KDR (0.42) KMT2AMEN1KDRDRD2SSTR1
SCHEMBL5369342 0.81 SLC6A4 (0.38) TACR1OPRM1OPRL1
SCHEMBL5375841 0.80 GAA (0.39) KMT2AMEN1OPRM1ALDH1A1GRIN2B
SCHEMBL5361858 0.80 CNR1 (0.47) TACR1
SCHEMBL5365655 0.78 HSD11B1 (0.51) KMT2AMEN1ALDH1A1
SCHEMBL5362767 0.73 MEN1 (0.50) KMT2AMEN1TACR1OPRM1ALDH1A1
SCHEMBL11620077 0.72 DRD2 (0.46) KMT2AMEN1KDRDRD2ALDH1A1
Hydrochloric Acid SCHEMBL11622417 0.71 DRD2 (0.45) KMT2AMEN1KDRDRD2ALDH1A1

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-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

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 KMT2A 1835/4885MEN1 2148/4885TACR1 53/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 KMT2A 1721/4885MEN1 1787/4885TACR1 46/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 KMT2A 1721/4885MEN1 1787/4885TACR1 46/4885

“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.