SCHEMBL265836

SCHEMBL265836

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)C(C)c2ccccc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.37
EP300 Q09472 1/20 0.37
KCNH2 Q12809 1/20 0.37
PPARD Q03181 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MLYCD O95822 1/20 0.35
GLI1 P08151 3/20 0.35
GLI2 P10070 3/20 0.35
ALOX5 P09917 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL265835 1.00 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL265389 0.91 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL264642 0.91 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL265390 0.91 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL263829 0.91 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL263828 0.91 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
Hydrochloric Acid SCHEMBL264156 0.90 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
Hydrochloric Acid SCHEMBL264155 0.90 TACR1 (0.37) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL265874 0.85 TP53 (0.46) TACR1EP300KCNH2PPARDSCN5A
SCHEMBL264217 0.84 EP300 (0.40) TACR1EP300KCNH2PPARDSCN5A

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 11 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 claimed
JP-2011524398-A 2011-09-01 JP claimed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN claimed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP 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

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 TACR1 60/4885EP300 1636/4885KCNH2 2292/4885

“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.