SCHEMBL265874

SCHEMBL265874

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](NS(C)(=O)=O)c2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
EP300 Q09472 1/20 0.40
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
KCNH2 Q12809 1/20 0.35
NR1H2 P55055 7/20 0.35
NR1H3 Q13133 6/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PPARD Q03181 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
TACR1 P25103 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL263828 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL263829 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL264642 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL265835 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL265390 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL265836 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL265389 0.85 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
Hydrochloric Acid SCHEMBL264156 0.84 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
Hydrochloric Acid SCHEMBL264155 0.84 TACR1 (0.37) TP53EP300SCN5ASCN9AKCNH2
SCHEMBL264217 0.84 EP300 (0.40) TP53EP300SCN5ASCN9AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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 (1 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 TP53 4852/4885EP300 1636/4885SCN5A 1701/4885

“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.