SCHEMBL266201

SCHEMBL266201

Cc1n[nH]c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)C(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.34
MAPK1 P28482 2/20 0.34
WNT1 P04628 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
DAO P14920 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CDK2 P24941 1/20 0.33
ITK Q08881 1/20 0.32
TRPA1 O75762 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL264127 0.86 MAPK1 (0.37) QPCTMAPK1WNT1TRPV1DAO
SCHEMBL264126 0.86 MAPK1 (0.37) QPCTMAPK1WNT1TRPV1DAO
SCHEMBL265595 0.84 P2RX7 (0.39) TRPM8DAODGAT2TRPA1PPARD
SCHEMBL265035 0.82 QPCT (0.46) QPCTDGAT2
SCHEMBL265026 0.76 CHRM2 (0.33) TRPV1TRPM8DAODGAT2TRPA1
SCHEMBL264589 0.76 MRGPRX4 (0.39) TRPM8DAOPPARD
SCHEMBL266212 0.71 TRPM8 (0.39) TRPM8DAOPPARD
SCHEMBL3646411 0.69 CES2 (0.38)
SCHEMBL265265 0.69 DAO (0.36) DAOTRPA1PPARD
SCHEMBL265474 0.69 DAO (0.36) DAOTRPA1PPARD

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-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
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 QPCT 3122/4885MAPK1 3149/4885WNT1 1562/4885

“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.