SCHEMBL265057

SCHEMBL265057

O=C(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
TRPM8 Q7Z2W7 6/20 0.39
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
RORC P51449 1/20 0.38
VNN1 O95497 1/20 0.38
SERPINE1 P05121 1/20 0.38
LTC4S Q16873 1/20 0.37
PTGIR P43119 1/20 0.36
MLYCD O95822 1/20 0.36

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
SCHEMBL264439 0.89 VNN1 (0.43) PDPK1MRGPRX4PLAAT3PLAAT5PLAAT2
SCHEMBL264643 0.88 GRM4 (0.42) PDPK1MRGPRX4TRPM8PLAAT3PLAAT5
SCHEMBL265612 0.88 TRPM8 (0.39) PDPK1MRGPRX4TRPM8PLAAT3PLAAT5
SCHEMBL265613 0.88 TRPM8 (0.39) PDPK1MRGPRX4TRPM8PLAAT3PLAAT5
SCHEMBL264589 0.82 MRGPRX4 (0.39) MRGPRX4TRPM8PLAAT3PLAAT5PLAAT2
SCHEMBL265565 0.81 TACR1 (0.40) PDPK1TRPM8PLAAT3PLAAT5PLAAT2
SCHEMBL265564 0.81 TACR1 (0.40) PDPK1TRPM8PLAAT3PLAAT5PLAAT2
SCHEMBL265563 0.81 TACR1 (0.40) PDPK1TRPM8PLAAT3PLAAT5PLAAT2
SCHEMBL3644621 0.81 PDPK1 (0.43) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL266212 0.80 TRPM8 (0.39) MRGPRX4TRPM8PLAAT3PLAAT5PLAAT2

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 9 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
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 PDPK1 3487/4885MRGPRX4 140/4885TRPM8 386/4885

“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.