SCHEMBL265539

SCHEMBL265539

CN1C[N+](C)([O-])c2cc(NCCc3ccc(C(F)(F)F)nc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
EP300 Q09472 1/20 0.34
BCDIN3D Q7Z5W3 3/20 0.34
P2RX3 P56373 5/20 0.33
P2RX2 Q9UBL9 5/20 0.33
NAMPT P43490 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HCRTR1 O43613 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 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
SCHEMBL27808347 0.81 DAO (0.38) DAOEP300BCDIN3DP2RX3P2RX2
SCHEMBL265830 0.74 HRH3 (0.48) DAOMAPTCYP3A4CYP3A5
SCHEMBL264967 0.73 MAPT (0.53) TP53MAPTCYP3A4
SCHEMBL265381 0.72 SMN1; SMN2 (0.45) DAOTP53
SCHEMBL265097 0.72 MAPT (0.50) DAOMAPTCYP3A4CYP3A5
SCHEMBL264961 0.72 DAO (0.41) DAONAMPTKDM1AMAOAMAOB
SCHEMBL263388 0.71 MAPT (0.43) DAOTP53MAPTCYP3A4
SCHEMBL271864 0.71 DAO (0.43) DAONAMPTKDM1AMAOAMAOB
SCHEMBL267315 0.70 TRPV1 (0.54) DAOMAPTFLT1KDR
SCHEMBL272264 0.69 DAO (0.42) DAOEP300KDM1AMAOAMAOB

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 DAO 1311/4885EP300 1636/4885BCDIN3D 4242/4885

“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.