SCHEMBL5366541

SCHEMBL5366541

CC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
TACR1 P25103 3/20 0.44
SLC6A4 P31645 2/20 0.44
ADRA2A P08913 1/20 0.42
OPRL1 P41146 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
NR1I2 O75469 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5369324 0.86 TACR1 (0.38) TACR1SLC6A4ADRA2AOPRL1CNR1
SCHEMBL5369342 0.86 SLC6A4 (0.38) CCR3SIGMAR1TACR1SLC6A4OPRL1
SCHEMBL5364933 0.84 ALDH1A1 (0.44) SIGMAR1TACR1SLC6A4ADRA2AOPRL1
SCHEMBL5361995 0.83 KMT2A (0.43) TACR1OPRL1ALDH1A1KDM4EGAA
SCHEMBL5375841 0.83 GAA (0.39) ALDH1A1KDM4EGAAHTTMEN1
SCHEMBL5372806 0.83 SIGMAR1 (0.56) SIGMAR1TACR1SLC6A4ALDH1A1KDM4E
SCHEMBL5361858 0.79 CNR1 (0.47) TACR1CNR1KCNH2
SCHEMBL5365655 0.77 HSD11B1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL14417148 0.77 CCR3 (0.49) CCR3SIGMAR1OPRL1ALDH1A1LMNA
SCHEMBL5367864 0.75 CCR3 (0.61) CCR3SIGMAR1OPRL1ALDH1A1KDM4E

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 CCR3 3109/4885SIGMAR1 185/4885TACR1 53/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 CCR3 3143/4885SIGMAR1 198/4885TACR1 46/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 CCR3 3143/4885SIGMAR1 198/4885TACR1 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.