SCHEMBL4989536

SCHEMBL4989536

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.34
DPP8 Q6V1X1 6/20 0.34
DPP7 Q9UHL4 6/20 0.34
DPP9 Q86TI2 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX7 Q99572 8/20 0.31

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
SCHEMBL4980900 0.86 P2RX3 (0.39) DPP4DPP8DPP7P2RX3P2RX7
SCHEMBL4985073 0.83 PTGDR2 (0.37) P2RX7
SCHEMBL4984698 0.80 F12 (0.42) P2RX7
SCHEMBL4991248 0.78 GNRHR (0.36)
SCHEMBL4988247 0.77 RIPK1 (0.40) P2RX7
SCHEMBL14272287 0.77 TSHR (0.52)
SCHEMBL4988613 0.76 CGAS (0.40) P2RX7
SCHEMBL4990995 0.75 MAP4K4 (0.41) P2RX7
SCHEMBL4990641 0.75 ALDH1A1 (0.39) P2RX7
SCHEMBL19959250 0.74 ADORA1 (0.49)

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 DPP4 1987/4885DPP8 1805/4885DPP7 2026/4885

“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.