SCHEMBL265803

SCHEMBL265803

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](O)c2cccnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNA5 P22460 1/20 0.35
CYP51A1 Q16850 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
OPRM1 P35372 2/20 0.35
NAMPT P43490 1/20 0.34
TBXAS1 P24557 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB3 P13945 1/20 0.33
EP300 Q09472 1/20 0.33
PDK1 Q15118 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
SCHEMBL265804 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1KCNA5CYP51A1LMNA
SCHEMBL264033 0.91 EP300 (0.38) CYP3A4ALDH1A1EP300
SCHEMBL264032 0.91 EP300 (0.38) CYP3A4ALDH1A1EP300
SCHEMBL265572 0.91 EP300 (0.38) CYP3A4ALDH1A1EP300
SCHEMBL264878 0.90 CYP51A1 (0.35) CYP3A4CYP51A1NAMPTADRB3EP300
SCHEMBL264877 0.90 CYP51A1 (0.35) CYP3A4CYP51A1NAMPTADRB3EP300
SCHEMBL264220 0.83 MLYCD (0.38) CYP3A4ALDH1A1NAMPTSMN1; SMN2EP300
SCHEMBL264221 0.83 MLYCD (0.38) CYP3A4ALDH1A1NAMPTSMN1; SMN2EP300
SCHEMBL263829 0.80 TACR1 (0.37) CYP3A4ALDH1A1EP300
SCHEMBL263828 0.80 TACR1 (0.37) CYP3A4ALDH1A1EP300

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 7 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
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN 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 CYP3A4 1262/4885ALDH1A1 1706/4885KCNA5 1714/4885

“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.