SCHEMBL265064

SCHEMBL265064

Cc1ccc(NCCc2cccnc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
PABPC1 P11940 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
PTAFR P25105 1/20 0.48
NAMPT P43490 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNA7 P36544 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGDR Q13258 1/20 0.44
APAF1 O14727 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44

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
SCHEMBL6189301 0.87 L3MBTL1 (0.48) HRH3RAB9AL3MBTL1NPC1KDM4E
SCHEMBL5534209 0.83 ALDH1A1 (0.71) HRH3RAB9AL3MBTL1NPC1KDM4E
SCHEMBL3901187 0.82 MAPT (0.57) RAB9AL3MBTL1NPC1KDM4EALDH1A1
SCHEMBL3646333 0.81 L3MBTL1 (0.58) HRH3RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL3131368 0.79 L3MBTL1 (0.58) RAB9AL3MBTL1NPC1KDM4EALDH1A1
SCHEMBL10875855 0.78 POLB (0.54) RAB9AL3MBTL1NPC1KDM4EALDH1A1
SCHEMBL5307781 0.78 LTA4H (0.69) HRH3RAB9AL3MBTL1NPC1KDM4E
SCHEMBL4842246 0.77 CHRNA7 (0.56) RAB9AL3MBTL1NPC1KDM4EALDH1A1
SCHEMBL3642817 0.74 MAPT (0.58) HRH3RAB9AL3MBTL1NPC1KDM4E
SCHEMBL299955 0.74 HRH3 (0.49) HRH3RAB9AL3MBTL1NPC1KDM4E

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 HRH3 8/4885RAB9A 4027/4885L3MBTL1 3700/4885

“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.