SCHEMBL265026

SCHEMBL265026

O=C(C(=O)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)OCC2)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
DAO P14920 1/20 0.32
KAT6A Q92794 1/20 0.31
EPHX2 P34913 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MARK3 P27448 1/20 0.31
TRPA1 O75762 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL265893 0.85 OGA (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL265895 0.85 OGA (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL265894 0.85 OGA (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL271525 0.83 OGA (0.33) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL265595 0.82 P2RX7 (0.39) ALDH1A1TRPM8DAODGAT2TRPA1
SCHEMBL266212 0.79 TRPM8 (0.39) TRPM8DAOCNR2
SCHEMBL13574545 0.77 NR3C1 (0.34) TRPV1TRPM8OGAP2RX7
Hydrochloric Acid SCHEMBL265960 0.77 USP9X (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4
Hydrochloric Acid SCHEMBL265962 0.77 USP9X (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4
Hydrochloric Acid SCHEMBL265961 0.77 USP9X (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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 CHRM2 186/4885CHRM1 210/4885CHRNB2 218/4885

“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.