SCHEMBL264619

SCHEMBL264619

Cc1ccc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)[C@H](O)c2ccc(F)cc2)cc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
FFAR1 O14842 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
DAO P14920 1/20 0.33
POLQ O75417 4/20 0.33
MCHR1 Q99705 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SLC6A9 P48067 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL264618 1.00 RXRA (0.34) RXRAGRIN1GRIN2BFFAR1HCRTR1
SCHEMBL264620 1.00 RXRA (0.34) RXRAGRIN1GRIN2BFFAR1HCRTR1
SCHEMBL264909 0.92 FFAR1 (0.37) RXRAGRIN1GRIN2BFFAR1HCRTR1
SCHEMBL271747 0.92 FFAR1 (0.37) RXRAGRIN1GRIN2BFFAR1HCRTR1
SCHEMBL264910 0.92 FFAR1 (0.37) RXRAGRIN1GRIN2BFFAR1HCRTR1
SCHEMBL265942 0.88 DAO (0.36) HCRTR1HCRTR2DAOPOLQMCHR1
SCHEMBL263921 0.88 DAO (0.36) HCRTR1HCRTR2DAOPOLQMCHR1
SCHEMBL263920 0.88 DAO (0.36) HCRTR1HCRTR2DAOPOLQMCHR1
SCHEMBL265018 0.86 POLQ (0.36) FFAR1HCRTR1HCRTR2DAOPOLQ
SCHEMBL265017 0.86 POLQ (0.36) FFAR1HCRTR1HCRTR2DAOPOLQ

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 6 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
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
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
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 RXRA 548/4885GRIN1 178/4885GRIN2B 141/4885

“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.