SCHEMBL265039

SCHEMBL265039

COc1cc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](OC(C)=O)c2ccccc2)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.35
TACR1 P25103 3/20 0.35
PPARD Q03181 1/20 0.34
P2RX7 Q99572 2/20 0.33
EP300 Q09472 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CETP P11597 1/20 0.33
GAA P10253 1/20 0.33
KLK7 P49862 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL264166 0.88 GPBAR1 (0.37) GPBAR1TACR1PPARDP2RX7EP300
SCHEMBL264165 0.88 GPBAR1 (0.37) GPBAR1TACR1PPARDP2RX7EP300
SCHEMBL265823 0.84 TRPV1 (0.38) TACR1EP300ALDH1A1KCNH2
SCHEMBL264475 0.81 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL264474 0.81 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL264548 0.81 HSD17B10 (0.33) TACR1PPARDEP300KCNH2CETP
SCHEMBL1422138 0.81 ALDH1A1 (0.33) GPBAR1TACR1PPARDP2RX7EP300
SCHEMBL265374 0.81 CSF1R (0.38) GPBAR1PPARDP2RX7
SCHEMBL265373 0.81 CSF1R (0.38) GPBAR1PPARDP2RX7
SCHEMBL2639828 0.80 BDKRB1 (0.34) GPBAR1TACR1EP300ALDH1A1KCNH2

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 GPBAR1 207/4885TACR1 60/4885PPARD 1003/4885

“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.