SCHEMBL264746

SCHEMBL264746

Cc1ccc(NCCc2ccc(C(F)(F)F)cn2)cc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.38
GRIN1 Q05586 7/20 0.38
GRIN2B Q13224 7/20 0.38
DAO P14920 1/20 0.37
MCHR1 Q99705 1/20 0.35
AURKB Q96GD4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
RORC P51449 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
SCHEMBL264873 0.90 DAO (0.39) RXRAGRIN1GRIN2BDAOMCHR1
SCHEMBL264418 0.83 HRH3 (0.48) DAOMCHR1AURKBHRH3PPARG
SCHEMBL265027 0.81 DAO (0.41) DAOMCHR1AURKBHRH3PPARG
SCHEMBL264996 0.81 TSHR (0.39) DAOHRH3
SCHEMBL264416 0.79 DAO (0.41) DAOMCHR1AURKBHRH3PPARG
SCHEMBL265167 0.78 TSHR (0.39) DAOAURKB
SCHEMBL265917 0.77 KMT2A (0.39) DAO
SCHEMBL265220 0.74 EPHX2 (0.44) DAOAURKB
SCHEMBL264010 0.73 PANK3 (0.47) DAOMCHR1AURKBHRH3
SCHEMBL264959 0.72 MAPK1 (0.51)

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
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
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 RXRA 548/4885GRIN1 178/4885GRIN2B 141/4885

“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.