SCHEMBL272261

SCHEMBL272261

CC(=O)OC(C(=O)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCC2)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CETP P11597 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
SCHEMBL271533 0.87 TRPV1 (0.38) TRPV1MEN1KMT2ADAOHTT
SCHEMBL265048 0.86 TRPV1 (0.37) TRPV1MEN1KMT2ADAOHTT
SCHEMBL271723 0.86 CYP3A4 (0.36) TRPV1MEN1KMT2ADAOALDH1A1
SCHEMBL265047 0.86 TRPV1 (0.37) TRPV1MEN1KMT2ADAOHTT
SCHEMBL265378 0.83 MEN1 (0.37) MEN1KMT2AMOGAT2ALDH1A1
SCHEMBL265377 0.83 MEN1 (0.37) MEN1KMT2AMOGAT2ALDH1A1
SCHEMBL265823 0.78 TRPV1 (0.38) TRPV1MEN1KMT2AHTTALDH1A1
SCHEMBL265116 0.78 SCN5A (0.36) MEN1KMT2ADAORXRARXRB
SCHEMBL266707 0.78 PRMT5 (0.36) MEN1KMT2ADAORXRARXRB
SCHEMBL266655 0.78 PRMT5 (0.36) MEN1KMT2ADAORXRARXRB

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 5 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
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

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 208/4885MEN1 1019/4885KMT2A 762/4885

“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.