SCHEMBL265931

SCHEMBL265931

CC(=O)O[C@H](C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.41
TRPV1 Q8NER1 2/20 0.38
MCHR1 Q99705 4/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
UTS2R Q9UKP6 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MET P08581 1/20 0.35
FPR2 P25090 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL265131 0.85 TACR1 (0.41) TACR1TRPV1MCHR1CNR1CNR2
SCHEMBL265130 0.85 TACR1 (0.41) TACR1TRPV1MCHR1CNR1CNR2
SCHEMBL265649 0.75 TACR1 (0.37) TACR1MCHR1PPARGPPARDPPARA
SCHEMBL265100 0.75 TRPM8 (0.41) TACR1MCHR1UTS2RMET
SCHEMBL265101 0.75 TRPM8 (0.41) TACR1MCHR1UTS2RMET
SCHEMBL265571 0.75 PTGES (0.36) TACR1TRPV1METALOX5ALOX5AP
SCHEMBL265570 0.75 PTGES (0.36) TACR1TRPV1METALOX5ALOX5AP
SCHEMBL265823 0.72 TRPV1 (0.38) TACR1TRPV1ALOX5
SCHEMBL265039 0.72 GPBAR1 (0.35) TACR1PPARD
SCHEMBL4153201 0.72 ALDH1A1 (0.44) TACR1PPARGPPARDPPARA

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 60/4885TRPV1 208/4885MCHR1 23/4885

“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.