SCHEMBL4029669

SCHEMBL4029669

Nc1ccc(OC2CCOCC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
SLC5A2 P31639 1/20 0.39
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
PIK3CA P42336 2/20 0.35
LRRK2 Q5S007 2/20 0.34
SYK P43405 1/20 0.34
KAT2B Q92831 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
DHFR P00374 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PIK3R1 P27986 1/20 0.33
DCPS Q96C86 1/20 0.33
PDE10A Q9Y233 1/20 0.32
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 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
SCHEMBL31508269 0.87 BCAT2 (0.46) BCAT2FEN1
SCHEMBL4019117 0.84 MCHR1 (0.44) BCAT2SLC5A2FEN1
SCHEMBL31403671 0.84 BCAT2 (0.43) BCAT2SLC5A2ALOX5APFEN1
SCHEMBL4020723 0.82 MCHR1 (0.46) BCAT2SLC5A2FEN1
SCHEMBL25319182 0.82 BCAT2 (0.42) BCAT2FEN1
SCHEMBL13769086 0.79 HRH1 (0.44) BCAT2SYKALOX5APFEN1
SCHEMBL13750591 0.79 PDE9A (0.43) SLC5A2RAF1BRAFHDAC6PIK3CA
SCHEMBL3299242 0.79 LRRK2 (0.37) SLC5A2RAF1BRAFHDAC6PIK3CA
SCHEMBL29311693 0.77 MAP3K12 (0.39) BCAT2PIK3CA
SCHEMBL30986470 0.77 HRH3 (0.42) BCAT2LRRK2

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 5 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
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
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
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 BCAT2 685/4885SLC5A2 265/4885RAF1 2358/4885

“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.