SCHEMBL265048

SCHEMBL265048

O=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.37
DAO P14920 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 5/20 0.33
MOGAT2 Q3SYC2 3/20 0.33
TRPA1 O75762 2/20 0.33
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL265047 1.00 TRPV1 (0.37) TRPV1DAOMEN1HTTKMT2A
SCHEMBL271533 0.99 TRPV1 (0.38) TRPV1DAOMEN1HTTKMT2A
SCHEMBL266655 0.92 PRMT5 (0.36) DAOMEN1KMT2AP2RX7CYP2C9
SCHEMBL266654 0.92 PRMT5 (0.36) DAOMEN1KMT2AP2RX7CYP2C9
SCHEMBL266707 0.92 PRMT5 (0.36) DAOMEN1KMT2AP2RX7CYP2C9
SCHEMBL265895 0.87 OGA (0.34) TRPV1DAOP2RX7TRPA1SCN5A
SCHEMBL265893 0.87 OGA (0.34) TRPV1DAOP2RX7TRPA1SCN5A
SCHEMBL265894 0.87 OGA (0.34) TRPV1DAOP2RX7TRPA1SCN5A
SCHEMBL272261 0.86 TRPV1 (0.35) TRPV1DAOMEN1HTTKMT2A
SCHEMBL265266 0.85 DAO (0.36) DAOMEN1KMT2AP2RX7TRPA1

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 claimed
JP-2011524398-A 2011-09-01 JP 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
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 TRPV1 208/4885DAO 1311/4885MEN1 1019/4885

“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.