SCHEMBL265220

SCHEMBL265220

FC(F)(F)c1ccc(CCNc2ccc(Cl)c(OC3CC3)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
SCD O00767 7/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.35
AURKB Q96GD4 1/20 0.35
TEAD1 P28347 1/20 0.35
UTS2R Q9UKP6 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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 0.84 KMT2A (0.39) KMT2ALMNASMN1; SMN2DAOUTS2R
SCHEMBL263372 0.77 P2RX7 (0.41) POLBDAO
SCHEMBL264873 0.77 DAO (0.39) DAOAURKBKDM1AMAOAMAOB
SCHEMBL265445 0.74 KMT2A (0.43) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL265167 0.74 TSHR (0.39) KMT2AMEN1SMN1; SMN2DAOAURKB
SCHEMBL264746 0.74 RXRA (0.38) DAOAURKB
SCHEMBL264983 0.73 HRH3 (0.43) DAOAURKBTEAD1KDM1AMAOA
SCHEMBL263904 0.72 P2RX7 (0.37) LMNAPOLBSMN1; SMN2DAOAURKB
SCHEMBL263905 0.72 DAO (0.36) EPHX2KMT2AMEN1POLBDAO
SCHEMBL264996 0.72 TSHR (0.39) KMT2AMEN1SMN1; SMN2DAO

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 EPHX2 1106/4885SCD 2738/4885KMT2A 762/4885

“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.