SCHEMBL4985375

SCHEMBL4985375

COc1cccc(C(=O)N2CCc3[c]nc(C(N)=O)nc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PDE4B Q07343 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATR Q13535 1/20 0.43
PARP1 P09874 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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 0.90 ALDH1A1 (0.43) GRM5ALDH1A1CA1CA2CA7
SCHEMBL4989543 0.88 HPGD (0.45) GRM5L3MBTL1ALDH1A1HPGDCA12
SCHEMBL4985522 0.88 HSD11B1 (0.44) GRM5ABL1
SCHEMBL4983097 0.87 GRM5 (0.48) GRM5L3MBTL1HPGDCYP3A4PARP1
SCHEMBL4989388 0.86 MAPK1 (0.55) L3MBTL1ALDH1A1HPGDCA1CA2
SCHEMBL4988678 0.85 GRM5 (0.52) GRM5CYP3A4
SCHEMBL4992284 0.85 GRM5 (0.48) GRM5L3MBTL1ALDH1A1CA12CA1
SCHEMBL4989744 0.85 ALDH1A1 (0.51) GRM5ALDH1A1HPGDCA12CA1
SCHEMBL4985620 0.84 PTGS1 (0.43) GRM5HPGDDRD2
SCHEMBL4983019 0.84 SIGMAR1 (0.47) L3MBTL1ALDH1A1

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 GRM5 231/4885L3MBTL1 4476/4885ALDH1A1 3640/4885

“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.