SCHEMBL271707

SCHEMBL271707

O=C([C@@H](O)c1ccccc1)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCCO2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.37
WNT3A P56704 6/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
USP9X Q93008 1/20 0.36
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
EP300 Q09472 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPK14 Q16539 4/20 0.32
ACHE P22303 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GRM1 Q13255 1/20 0.32
CHRM1 P11229 1/20 0.32
KCNH2 Q12809 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
SCHEMBL266999 0.89 TRPV1 (0.41) USP9XSCN5ASCN9AEP300TRPV1
SCHEMBL267001 0.89 TRPV1 (0.41) USP9XSCN5ASCN9AEP300TRPV1
SCHEMBL266707 0.89 PRMT5 (0.36) SCN5ASCN9AEP300MAPK14PRMT5
SCHEMBL266655 0.89 PRMT5 (0.36) SCN5ASCN9AEP300MAPK14PRMT5
SCHEMBL266654 0.89 PRMT5 (0.36) SCN5ASCN9AEP300MAPK14PRMT5
SCHEMBL265178 0.84 BDKRB1 (0.35) USP9XSCN5ASCN9AEP300TRPV1
SCHEMBL266409 0.84 BDKRB1 (0.35) USP9XSCN5ASCN9AEP300TRPV1
SCHEMBL265177 0.84 BDKRB1 (0.35) USP9XSCN5ASCN9AEP300TRPV1
Acetic Acid SCHEMBL2639824 0.82 BDKRB1 (0.35) USP9XSCN5ASCN9AEP300TRPV1
SCHEMBL265047 0.81 TRPV1 (0.37) SCN5ASCN9ATRPV1PRMT5WDR77

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 CTNNB1 2063/4885WNT3A 3250/4885KEAP1 1142/4885

“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.