Sugi Predict

Sugi Predict / Compounds / SCHEMBL264668

SCHEMBL264668

SCHEMBL264668

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@](C)(O)c2ccccc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ DAO P14920 1/20 0.35
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ CETP P11597 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PLAAT3 P53816 1/20 0.33
▸ PLAAT5 Q96KN8 1/20 0.33
▸ PLAAT2 Q9NWW9 1/20 0.33
▸ PLAAT4 Q9UL19 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL264669 1.00 PPARD (0.38) PPARDKCNH2TRPM8DAONR1H2
SCHEMBL264667 1.00 PPARD (0.38) PPARDKCNH2TRPM8DAONR1H2
SCHEMBL1422511 0.87 TRPM8 (0.35) PPARDKCNH2TRPM8DAONR1H2
SCHEMBL3644655 0.86 NR1H2 (0.39) NR1H2NR1H3PLAAT3PLAAT5PLAAT2
SCHEMBL3649913 0.86 NR1H2 (0.39) NR1H2NR1H3PLAAT3PLAAT5PLAAT2
SCHEMBL3644659 0.86 NR1H2 (0.39) NR1H2NR1H3PLAAT3PLAAT5PLAAT2
SCHEMBL27828828 0.86 TRPM8 (0.37) PPARDKCNH2TRPM8NR1H2NR1H3
SCHEMBL265073 0.84 MEN1 (0.40) PPARDKCNH2TRPM8DAOMRGPRX4
SCHEMBL264589 0.84 MRGPRX4 (0.39) PPARDKCNH2TRPM8DAOMRGPRX4
SCHEMBL1423338 0.83 TRPV1 (0.37) PPARDKCNH2NPC1RAB9AMEN1

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 8 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
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
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

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 PPARD 1003/4885KCNH2 2292/4885TRPM8 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.