SCHEMBL4982838

SCHEMBL4982838

NC(=O)c1n[c]c2c(n1)CN(C(=O)C1CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.38
KEAP1 Q14145 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
LMNA P02545 1/20 0.33
ATR Q13535 1/20 0.32
HPGD P15428 1/20 0.32
FASN P49327 1/20 0.32
SYK P43405 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL4988438 0.95 KEAP1 (0.40) GRM5KEAP1LMNASYKKMT2A
SCHEMBL4985602 0.94 KEAP1 (0.42) GRM5KEAP1LMNASYKKMT2A
SCHEMBL4986931 0.91 ACACB (0.37) GRM5LMNA
SCHEMBL4990989 0.83 GRM5 (0.35) GRM5KMT2A
SCHEMBL4988256 0.80 ADORA2A (0.46) GRM5LMNA
SCHEMBL4988240 0.80 CNR2 (0.42)
SCHEMBL4992337 0.78 PDE2A (0.42) KEAP1HPGD
SCHEMBL4988610 0.77 CGAS (0.36) GRM5LMNASYKKMT2A
SCHEMBL4985064 0.77 CNR2 (0.36) GRM5
SCHEMBL4985620 0.77 PTGS1 (0.43) GRM5HPGD

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 231/4885KEAP1 1016/4885CHRNB2 599/4885

“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.