SCHEMBL271747

SCHEMBL271747

O=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
DAO P14920 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
POLQ O75417 5/20 0.33
MCHR1 Q99705 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
SLC6A9 P48067 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL264910 1.00 FFAR1 (0.37) FFAR1DAOHCRTR1HCRTR2RXRA
SCHEMBL264909 1.00 FFAR1 (0.37) FFAR1DAOHCRTR1HCRTR2RXRA
SCHEMBL264619 0.92 RXRA (0.34) FFAR1DAOHCRTR1HCRTR2RXRA
SCHEMBL264618 0.92 RXRA (0.34) FFAR1DAOHCRTR1HCRTR2RXRA
SCHEMBL264620 0.92 RXRA (0.34) FFAR1DAOHCRTR1HCRTR2RXRA
SCHEMBL265371 0.86 POLQ (0.37) DAOHCRTR1HCRTR2POLQMCHR1
SCHEMBL263630 0.86 POLQ (0.37) DAOHCRTR1HCRTR2POLQMCHR1
SCHEMBL263631 0.86 POLQ (0.37) DAOHCRTR1HCRTR2POLQMCHR1
SCHEMBL265016 0.85 POLQ (0.36) FFAR1DAOHCRTR1HCRTR2POLQ
SCHEMBL265018 0.85 POLQ (0.36) FFAR1DAOHCRTR1HCRTR2POLQ

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 2 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-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 FFAR1 274/4885DAO 1311/4885HCRTR1 2/4885

“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.