SCHEMBL265566

SCHEMBL265566

CCn1cc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)C(=O)c2ccccc2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
KCNH2 Q12809 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
NR3C1 P04150 2/20 0.33
PPARD Q03181 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
PLAAT3 P53816 1/20 0.31
PLAAT5 Q96KN8 1/20 0.31
PLAAT2 Q9NWW9 1/20 0.31
PLAAT4 Q9UL19 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
GAA P10253 1/20 0.31
DAO P14920 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL266492 0.84 EP300 (0.38) EP300KCNH2NR3C1PPARDL3MBTL1
SCHEMBL266491 0.84 EP300 (0.38) EP300KCNH2NR3C1PPARDL3MBTL1
SCHEMBL264589 0.78 MRGPRX4 (0.39) EP300KCNH2MRGPRX4PPARDTRPM8
SCHEMBL265057 0.74 PDPK1 (0.41) MRGPRX4TRPM8PLAAT3PLAAT5PLAAT2
SCHEMBL266212 0.73 TRPM8 (0.39) EP300KCNH2MRGPRX4PPARDTRPM8
SCHEMBL265595 0.69 P2RX7 (0.39) PPARDTRPM8DAOKCNQ3KCNQ2
SCHEMBL265035 0.69 QPCT (0.46)
SCHEMBL265930 0.67 LRRK2 (0.43) EP300NR3C1GAADAOKCNQ3
SCHEMBL264439 0.66 VNN1 (0.43) MRGPRX4PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL266201 0.66 QPCT (0.34) PPARDTRPM8DAO

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-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
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
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 EP300 1636/4885KCNH2 2292/4885MRGPRX4 140/4885

“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.