SCHEMBL267079

SCHEMBL267079

Cc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)C(O)c3ccc(F)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.45
CACNA1H O95180 2/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33
DGAT2 Q96PD7 5/20 0.33
EP300 Q09472 1/20 0.32
DAO P14920 1/20 0.32
PDE9A O76083 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL267078 1.00 QPCT (0.45) QPCTCACNA1HNTRK1CSF1RNTRK2
SCHEMBL265035 0.86 QPCT (0.46) QPCTCACNA1HDGAT2PDE9AGPBAR1
SCHEMBL265265 0.84 DAO (0.36) NTRK1CSF1RNTRK2EP300DAO
SCHEMBL265266 0.84 DAO (0.36) NTRK1CSF1RNTRK2EP300DAO
SCHEMBL265293 0.83 EP300 (0.34) QPCTEP300
SCHEMBL265294 0.83 EP300 (0.34) QPCTEP300
SCHEMBL264126 0.83 MAPK1 (0.37) QPCTDAO
SCHEMBL264127 0.83 MAPK1 (0.37) QPCTDAO
SCHEMBL264736 0.81 MLYCD (0.37) DAO
SCHEMBL264737 0.81 MLYCD (0.37) DAO

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 QPCT 3122/4885CACNA1H 1565/4885NTRK1 1034/4885

“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.