SCHEMBL265016

SCHEMBL265016

COc1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)C(O)c2ccc(F)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.36
FFAR1 O14842 2/20 0.35
FFAR2 O15552 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
DAO P14920 1/20 0.34
PPARD Q03181 3/20 0.33
CASR P41180 1/20 0.33
CETP P11597 1/20 0.33
MCHR1 Q99705 1/20 0.33
CTSA P10619 2/20 0.33
PPARA Q07869 2/20 0.33
OXTR P30559 1/20 0.33
PPARG P37231 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL265018 1.00 POLQ (0.36) POLQFFAR1FFAR2FFAR4HCRTR1
SCHEMBL265017 1.00 POLQ (0.36) POLQFFAR1FFAR2FFAR4HCRTR1
SCHEMBL263630 0.90 POLQ (0.37) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL265371 0.90 POLQ (0.37) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL263631 0.90 POLQ (0.37) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264223 0.89 DAO (0.36) POLQHCRTR1HCRTR2DAOPPARD
SCHEMBL264222 0.89 DAO (0.36) POLQHCRTR1HCRTR2DAOPPARD
SCHEMBL266187 0.89 DAO (0.36) POLQHCRTR1HCRTR2DAOPPARD
SCHEMBL264284 0.89 MEN1 (0.39) POLQFFAR1HCRTR1HCRTR2DAO
SCHEMBL264285 0.89 MEN1 (0.39) POLQFFAR1HCRTR1HCRTR2DAO

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 13 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 claimed
JP-2011524398-A 2011-09-01 JP claimed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
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 POLQ 4600/4885FFAR1 274/4885FFAR2 198/4885

“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.