SCHEMBL4980900

SCHEMBL4980900

CC(C)CC(=O)N1CCc2c(N)ncnc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.39
P2RY12 Q9H244 1/20 0.37
PDE10A Q9Y233 3/20 0.37
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
PDE4A P27815 1/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
POLB P06746 4/20 0.36
HRH1 P35367 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
DPP8 Q6V1X1 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP4 P27487 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4989536 0.86 DPP4 (0.34) P2RX3DPP8DPP7DPP4P2RX7
SCHEMBL4984698 0.85 F12 (0.42) P2RX7
SCHEMBL4985073 0.82 PTGDR2 (0.37) P2RX7
SCHEMBL4988613 0.82 CGAS (0.40) JAK1SLC6A15ALDH1A1KMT2AMEN1
SCHEMBL4990995 0.81 MAP4K4 (0.41) P2RX7
SCHEMBL4988261 0.78 ADORA2A (0.51) JAK2JAK1HRH1SLC6A15ALDH1A1
SCHEMBL4989360 0.78 NPC1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL4988247 0.77 RIPK1 (0.40) P2RX7
SCHEMBL4992228 0.76 NPC1 (0.49) POLBL3MBTL1ALDH1A1
SCHEMBL4980953 0.76 MEN1 (0.53) POLBL3MBTL1ALDH1A1KMT2AMEN1

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 P2RX3 2/4885P2RY12 14/4885PDE10A 1072/4885

“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.