SCHEMBL265595

SCHEMBL265595

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)C(=O)c2ccc(F)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
TRPM8 Q7Z2W7 3/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARD Q03181 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
TRPA1 O75762 1/20 0.34
IDO1 P14902 1/20 0.33
CCR5 P51681 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 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
SCHEMBL264589 0.91 MRGPRX4 (0.39) P2RX7TRPM8DAOPPARD
SCHEMBL3646411 0.85 CES2 (0.38) ALDH1A1MEN1KMT2ACCR5
SCHEMBL266201 0.84 QPCT (0.34) TRPM8DAOPPARDDGAT2TRPA1
SCHEMBL263636 0.84 DAO (0.36) P2RX7DAOPPARDMEN1KMT2A
SCHEMBL265265 0.84 DAO (0.36) P2RX7DAOPPARDMEN1KMT2A
SCHEMBL265474 0.84 DAO (0.36) P2RX7DAOPPARDMEN1KMT2A
SCHEMBL263635 0.84 DAO (0.36) P2RX7DAOPPARDMEN1KMT2A
SCHEMBL265266 0.84 DAO (0.36) P2RX7DAOPPARDMEN1KMT2A
SCHEMBL265035 0.83 QPCT (0.46) DGAT2
SCHEMBL265026 0.82 CHRM2 (0.33) P2RX7TRPM8DAOALDH1A1DGAT2

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
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
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 P2RX7 506/4885TRPM8 386/4885DAO 1311/4885

“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.