SCHEMBL264137

SCHEMBL264137

Cc1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)C(N)c2ccccc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.38
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MCHR1 Q99705 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KIF11 P52732 2/20 0.34
TP53 P04637 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
DAO P14920 1/20 0.34
POLQ O75417 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
SCHEMBL264136 1.00 TACR1 (0.38) TACR1HCRTR1HCRTR2MCHR1L3MBTL1
Hydrochloric Acid SCHEMBL266780 0.99 TACR1 (0.37) TACR1HCRTR1HCRTR2MCHR1L3MBTL1
Hydrochloric Acid SCHEMBL266779 0.99 TACR1 (0.37) TACR1HCRTR1HCRTR2MCHR1L3MBTL1
SCHEMBL264193 0.91 TACR1 (0.39) TACR1HCRTR1HCRTR2MCHR1L3MBTL1
SCHEMBL264192 0.91 TACR1 (0.39) TACR1HCRTR1HCRTR2MCHR1L3MBTL1
SCHEMBL265466 0.88 TP53 (0.36) KIF11TP53
SCHEMBL265465 0.88 TP53 (0.36) KIF11TP53
SCHEMBL27808502 0.87 TP53 (0.40) TACR1HCRTR1HCRTR2MCHR1L3MBTL1
Hydrochloric Acid SCHEMBL267163 0.87 TP53 (0.36) KIF11TP53
Hydrochloric Acid SCHEMBL267162 0.87 TP53 (0.36) KIF11TP53

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 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
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
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 60/4885HCRTR1 2/4885HCRTR2 1/4885

“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.