SCHEMBL264873

SCHEMBL264873

FC(F)Oc1ccc(NCCc2ccc(C(F)(F)F)cn2)cc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
RXRA P19793 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
AURKB Q96GD4 1/20 0.35
MCHR1 Q99705 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
F11 P03951 1/20 0.34
PDE4A P27815 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE4B Q07343 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
SCHEMBL264746 0.90 RXRA (0.38) DAORXRAGRIN1GRIN2BAURKB
SCHEMBL265167 0.79 TSHR (0.39) DAOAURKBNPC1RAB9A
SCHEMBL264996 0.79 TSHR (0.39) DAOFFAR1NPC1RAB9A
SCHEMBL265917 0.78 KMT2A (0.39) DAONPC1RAB9A
SCHEMBL265220 0.77 EPHX2 (0.44) DAOAURKBKDM1AMAOAMAOB
SCHEMBL264418 0.76 HRH3 (0.48) DAOAURKBMCHR1CCNCCDK8
SCHEMBL3729518 0.76 PDE4D (0.56) DAORXRAGRIN1GRIN2BMCHR1
SCHEMBL264416 0.74 DAO (0.41) DAOAURKBMCHR1CCNCCDK8
SCHEMBL265027 0.74 DAO (0.41) DAOAURKBMCHR1CCNCCDK8
SCHEMBL266347 0.74 DAO (0.42) DAOAURKBCCNCCDK8NPC1

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 6 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
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 DAO 1311/4885RXRA 548/4885GRIN1 178/4885

“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.