SCHEMBL265073

SCHEMBL265073

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccccc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR2 P34972 1/20 0.40
KCNH2 Q12809 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARD Q03181 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPK1 P28482 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
DAO P14920 1/20 0.36
PLAAT3 P53816 1/20 0.36

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
SCHEMBL265169 0.87 NPC1 (0.38) KCNH2NPC1RAB9APPARDALDH1A1
SCHEMBL13574525 0.87 ALDH1A1 (0.38) KCNH2NPC1RAB9APPARDALDH1A1
SCHEMBL264589 0.86 MRGPRX4 (0.39) KCNH2TRPM8NPC1RAB9ATDP1
SCHEMBL264669 0.84 PPARD (0.38) MEN1KMT2AKCNH2TRPM8NPC1
SCHEMBL264667 0.84 PPARD (0.38) MEN1KMT2AKCNH2TRPM8NPC1
SCHEMBL264668 0.84 PPARD (0.38) MEN1KMT2AKCNH2TRPM8NPC1
SCHEMBL263829 0.83 TACR1 (0.37) KCNH2TRPM8NPC1RAB9APPARD
SCHEMBL265835 0.83 TACR1 (0.37) KCNH2TRPM8PPARDALDH1A1DAO
SCHEMBL263828 0.83 TACR1 (0.37) KCNH2TRPM8NPC1RAB9APPARD
SCHEMBL265836 0.83 TACR1 (0.37) KCNH2TRPM8PPARDALDH1A1DAO

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 15 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
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
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 MEN1 1019/4885KMT2A 762/4885CNR2 10/4885

“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.