SCHEMBL503098

SCHEMBL503098

CC(C)(C)[Si](C)(C)OC[C@H](N)COCCc1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.33
ELOVL1 Q9BW60 2/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
AOC3 Q16853 1/20 0.33
MAOB P27338 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL503485 1.00 TAAR1 (0.33) TAAR1ELOVL1IDO1AGXTAOC3
SCHEMBL574575 0.84 ADRB2 (0.35) ELOVL1
SCHEMBL574831 0.84 ADRB2 (0.35) ELOVL1
SCHEMBL1245973 0.80 ELOVL1 (0.41) TAAR1ELOVL1IDO1AGXTAOC3
SCHEMBL3980398 0.77 ALDH1A1 (0.39) IDO1AGXT
SCHEMBL3980397 0.77 ALDH1A1 (0.39) IDO1AGXT
SCHEMBL503484 0.75 TACR1 (0.33) IDO1AOC3
SCHEMBL503097 0.75 TACR1 (0.33) IDO1AOC3
SCHEMBL574565 0.74 TAAR1 (0.41) TAAR1IDO1AGXTAOC3MAOB
SCHEMBL574669 0.74 TAAR1 (0.41) TAAR1IDO1AGXTAOC3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 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 (2 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R TAAR1 1/4885ELOVL1 2221/4885IDO1 660/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R TAAR1 1/4885ELOVL1 2221/4885IDO1 660/4885

“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.