SCHEMBL265295

SCHEMBL265295

FC(F)(F)c1ccc(CCNc2ccc3c(c2)OCC3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 1/20 0.40
DAO P14920 1/20 0.37
QPCT Q16769 1/20 0.35
CHEK1 O14757 2/20 0.35
FLT3 P36888 2/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
PTGDR Q13258 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL267315 0.87 TRPV1 (0.54) TRPV1DAOCHEK1FLT3MAPT
SCHEMBL264961 0.82 DAO (0.41) DAOKDM1AMAOAMAOBMAPT
SCHEMBL8178969 0.82 OGA (0.43) TRPV1CHRM2CHRM1CHRNB2CHRM3
SCHEMBL271864 0.81 DAO (0.43) DAOKDM1AMAOAMAOBMAPT
SCHEMBL3646733 0.78 MAPT (0.45) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL265830 0.74 HRH3 (0.48) DAOMAPTGAAMEN1ALDH1A1
SCHEMBL264967 0.74 MAPT (0.53) MAPTMEN1ALDH1A1TSHRHTT
SCHEMBL265097 0.72 MAPT (0.50) DAOFLT3MAPTGAAMEN1
SCHEMBL27808347 0.71 DAO (0.38) DAOKDM1AMAOAMAOBFLT1
SCHEMBL24533109 0.70 MAPT (0.43) 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 TRPV1 208/4885CHRM2 186/4885CHRM1 210/4885

“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.