SCHEMBL4983019

SCHEMBL4983019

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
BRS3 P32247 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
MGAT3 Q09327 1/20 0.38
CTBP2 P56545 1/20 0.38
KCNQ2 O43526 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4990959 0.89 SMN1; SMN2 (0.50) ALDH1A1LMNAKMT2AMAPTL3MBTL1
SCHEMBL4983744 0.87 HTT (0.49) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL4989356 0.85 NPC1 (0.42) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL4985028 0.85 KDM4E (0.45) SIGMAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL4988720 0.84 HSD17B10 (0.41) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL4985375 0.84 GRM5 (0.51) ALDH1A1L3MBTL1
SCHEMBL4986045 0.79 POLB (0.42) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL4980948 0.79 MEN1 (0.49) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL4988610 0.78 CGAS (0.36) LMNAKMT2AGAAPOLB
SCHEMBL4989543 0.77 HPGD (0.45) ALDH1A1NPC1L3MBTL1GAAPOLB

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 1 patent. 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

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 SIGMAR1 681/4885BRS3 380/4885ALDH1A1 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.