SCHEMBL4985602

SCHEMBL4985602

NC(=O)c1n[c]c2c(n1)CN(C(=O)C1CCCCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
GRM5 P41594 4/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HDAC6 Q9UBN7 5/20 0.37
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SYK P43405 1/20 0.35
MET P08581 1/20 0.34
GBA1 P04062 1/20 0.34

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 0.99 KEAP1 (0.40) KEAP1GRM5LMNAALDH1A1TSHR
SCHEMBL4982838 0.94 GRM5 (0.38) KEAP1GRM5LMNAKMT2ASYK
SCHEMBL4986931 0.87 ACACB (0.37) GRM5LMNA
SCHEMBL4988256 0.81 ADORA2A (0.46) GRM5LMNAALDH1A1PTGDR2
SCHEMBL4990989 0.80 GRM5 (0.35) GRM5ALDH1A1KMT2A
SCHEMBL4988240 0.77 CNR2 (0.42) HDAC6
SCHEMBL4992337 0.76 PDE2A (0.42) KEAP1ALDH1A1PTGDR2
SCHEMBL5013858 0.75 GRM5 (0.33) GRM5
SCHEMBL4980898 0.74 DPP4 (0.34)
SCHEMBL4988610 0.74 CGAS (0.36) GRM5LMNATSHRKMT2ASYK

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 KEAP1 1016/4885GRM5 231/4885LMNA 1911/4885

“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.