SCHEMBL265895

SCHEMBL265895

O=C([C@@H](O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)OCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.34
NR3C1 P04150 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
DAO P14920 1/20 0.32
P2RX7 Q99572 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
MARK3 P27448 1/20 0.32
TRPA1 O75762 4/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
KCNK3 O14649 1/20 0.31
USP9X Q93008 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL265894 1.00 OGA (0.34) OGANR3C1CHRM2CHRM1CHRNB2
SCHEMBL265893 1.00 OGA (0.34) OGANR3C1CHRM2CHRM1CHRNB2
SCHEMBL271525 0.90 OGA (0.33) OGANR3C1CHRM2CHRM1CHRNB2
SCHEMBL265048 0.87 TRPV1 (0.37) DAOP2RX7TRPV1TRPA1SCN5A
SCHEMBL265047 0.87 TRPV1 (0.37) DAOP2RX7TRPV1TRPA1SCN5A
SCHEMBL271533 0.86 TRPV1 (0.38) DAOP2RX7TRPV1TRPA1SCN5A
SCHEMBL265026 0.85 CHRM2 (0.33) OGACHRM2CHRM1CHRNB2CHRM3
SCHEMBL271631 0.84 BDKRB1 (0.33) DAOP2RX7TRPV1TRPA1SCN9A
SCHEMBL272169 0.84 BDKRB1 (0.33) DAOP2RX7TRPV1TRPA1SCN9A
SCHEMBL13574545 0.83 NR3C1 (0.34) OGANR3C1P2RX7TRPV1TRPM8

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 4 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
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 OGA 2342/4885NR3C1 206/4885CHRM2 186/4885

“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.