SCHEMBL265167

SCHEMBL265167

COc1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DAO P14920 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRM4 Q14833 1/20 0.38
GAK O14976 2/20 0.38
EGFR P00533 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
EPHA1 P21709 1/20 0.38
EPHA8 P29322 1/20 0.38
TXK P42681 1/20 0.38
COQ8A Q8NI60 1/20 0.38
NLK Q9UBE8 1/20 0.38
KCNH2 Q12809 1/20 0.37
GCGR P47871 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL265917 0.87 KMT2A (0.39) TSHRSMN1; SMN2DAONPC1RAB9A
SCHEMBL264996 0.86 TSHR (0.39) TSHRSMN1; SMN2DAONPC1RAB9A
SCHEMBL264416 0.84 DAO (0.41) DAONPC1RAB9AAURKBHDAC3
SCHEMBL265027 0.81 DAO (0.41) DAONPC1RAB9AMAPTKMT2A
SCHEMBL3751136 0.81 MAPT (0.43) MAPTKMT2AAURKANTRK1AURKB
SCHEMBL265688 0.81 HDAC1 (0.50) DAONPC1RAB9AGCGRKMT2A
SCHEMBL264959 0.80 MAPK1 (0.51) TSHRSMN1; SMN2NPC1RAB9AGAK
SCHEMBL264418 0.79 HRH3 (0.48) DAONPC1RAB9AMAPTAURKB
SCHEMBL264873 0.79 DAO (0.39) DAONPC1RAB9AAURKB
SCHEMBL264746 0.78 RXRA (0.38) DAOAURKB

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 9 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
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 TSHR 258/4885SMN1; SMN2 2018/4885DAO 1311/4885

“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.