SCHEMBL13745274

SCHEMBL13745274

Cc1ccc(-c2cc(F)cc(F)c2)nn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.52
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NOTUM Q6P988 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
TRPV3 Q8NET8 1/20 0.33
ACLY P53396 1/20 0.33
ADORA2B P29275 1/20 0.33
MAOB P27338 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APLNR P35414 1/20 0.32

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
SCHEMBL13745012 0.82 MET (0.52) METADORA2AADORA1NOTUMMEN1
SCHEMBL10165319 0.81 RAB9A (0.52) METMEN1NPC1RAB9AKMT2A
SCHEMBL17051575 0.77 NPC1 (0.44) SLC6A2SLC6A4SLC6A3NOTUMMEN1
SCHEMBL17149171 0.77 P2RX7 (0.38) METSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL24156286 0.76 EGFR (0.38) METMEN1NPC1RAB9AKMT2A
SCHEMBL4025654 0.75 SLC6A2 (0.43) METADORA2AADORA1SLC6A2SLC6A4
SCHEMBL1951455 0.75 MEN1 (0.35) METADORA2AADORA1NOTUMMEN1
SCHEMBL13729171 0.75 TRPV3 (0.37) METADORA2AADORA1NOTUMMEN1
SCHEMBL22199144 0.75 MEN1 (0.42) METSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL31503961 0.74 APLNR (0.44) SLC6A2SLC6A4SLC6A3MEN1NPC1

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R MET 1199/4885ADORA2A 1568/4885ADORA1 748/4885

“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.