SCHEMBL264416

SCHEMBL264416

Cc1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
AURKB Q96GD4 1/20 0.37
MCHR1 Q99705 1/20 0.37
STK17A Q9UEE5 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE2A O00408 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL265027 0.90 DAO (0.41) DAOHRH3AURKBMCHR1STK17A
SCHEMBL264418 0.90 HRH3 (0.48) DAOHRH3AURKBMCHR1STK17A
SCHEMBL265167 0.84 TSHR (0.39) DAOAURKBNPC1RAB9AHDAC1
SCHEMBL264996 0.84 TSHR (0.39) DAOHRH3NPC1RAB9AHDAC1
SCHEMBL265688 0.84 HDAC1 (0.50) DAOAURKBMCHR1CCNCCDK8
SCHEMBL3646051 0.80 CNR1 (0.45) DAOMCHR1CCNCCDK8PDE2A
SCHEMBL264746 0.79 RXRA (0.38) DAOHRH3AURKBMCHR1CCNC
SCHEMBL265120 0.77 LMNA (0.43) DAOHRH3AURKBMCHR1CCNC
SCHEMBL266347 0.77 DAO (0.42) DAOHRH3AURKBCCNCCDK8
SCHEMBL263372 0.77 P2RX7 (0.41) DAOMCHR1PDE2ACNR1CNR2

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 10 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
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
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 DAO 1311/4885HRH3 8/4885AURKB 3391/4885

“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.