SCHEMBL1996836

SCHEMBL1996836

COc1ccc(CC(OC)C(N)[Si](C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LDHA P00338 1/20 0.45
IDO1 P14902 3/20 0.42
AGXT P21549 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TPH1 P17752 2/20 0.40
POLB P06746 2/20 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
SCHEMBL745207 0.83 EPHX1 (0.50) SLC6A4CYP2D6TAAR1
SCHEMBL656814 0.78 SLC6A4 (0.73) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1049431 0.74 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7528408 0.74 SLC6A4 (0.73) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL334384 0.73 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1586261 0.73 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1586263 0.73 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13354941 0.73 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL334385 0.73 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL16767542 0.73 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SLC6A4 73/4885CYP1A2 164/4885CYP2D6 593/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SLC6A4 73/4885CYP1A2 164/4885CYP2D6 593/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SLC6A4 73/4885CYP1A2 164/4885CYP2D6 593/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SLC6A4 73/4885CYP1A2 164/4885CYP2D6 593/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R SLC6A4 73/4885CYP1A2 164/4885CYP2D6 593/4885

“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.