SCHEMBL265649

SCHEMBL265649

CC(=O)O[C@H](C(=O)N(CCc1ccc(C(F)(F)F)cn1)c1ccc(C)c(C)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 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
SCHEMBL264192 0.87 TACR1 (0.39) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL264193 0.87 TACR1 (0.39) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL264137 0.86 TACR1 (0.38) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL264136 0.86 TACR1 (0.38) TACR1HCRTR1HCRTR2PPARGPPARD
Hydrochloric Acid SCHEMBL266779 0.85 TACR1 (0.37) TACR1HCRTR1HCRTR2PPARGPPARD
Hydrochloric Acid SCHEMBL266780 0.85 TACR1 (0.37) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL27808502 0.84 TP53 (0.40) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL266804 0.81 CTSS (0.38) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL266805 0.81 CTSS (0.38) TACR1HCRTR1HCRTR2PPARGPPARD
SCHEMBL1423930 0.81 BDKRB1 (0.32) TRPM8

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
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 TACR1 60/4885MEN1 1019/4885KMT2A 762/4885

“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.