SCHEMBL4989543

SCHEMBL4989543

COc1ccc(C(=O)N2CCc3[c]nc(C(N)=O)nc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA12 O43570 1/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
GRM3 Q14832 2/20 0.40
NPC1 O15118 1/20 0.40
ATR Q13535 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL4986952 0.89 ALDH1A1 (0.43) CA1CA2CA7CA9CA14
SCHEMBL4990813 0.88 PKM (0.42) HPGDALDH1A1GRM5
SCHEMBL4985375 0.88 GRM5 (0.51) HPGDCA1CA2CA7CA9
SCHEMBL4989388 0.88 MAPK1 (0.55) HPGDCA1CA2CA7CA9
SCHEMBL4993556 0.87 EPHX2 (0.42) PDE4BPDE4DGRM5
SCHEMBL4982974 0.86 GRM5 (0.45) CA1CA2CA7CA9CA14
SCHEMBL4988052 0.86 HSP90AB1 (0.42) HPGDCA1CA2CA7CA9
SCHEMBL4985620 0.85 PTGS1 (0.43) HPGDDRD2GRM5
SCHEMBL4983028 0.85 HPGD (0.44) HPGDALDH1A1
SCHEMBL4987144 0.85 CYP2C9 (0.40) HPGDDRD3DRD2GAAGRM5

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 HPGD 368/4885CA1 2581/4885CA2 1456/4885

“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.