SCHEMBL4990989

SCHEMBL4990989

CC(=O)N1CCc2[c]nc(C(N)=O)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BTK Q06187 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
BPTF Q12830 1/20 0.31
ENPP2 Q13822 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL4986931 0.87 ACACB (0.37) GRM5
SCHEMBL4988240 0.85 CNR2 (0.42)
SCHEMBL4982838 0.83 GRM5 (0.38) GRM5KMT2A
SCHEMBL4988610 0.82 CGAS (0.36) GRM5KMT2A
SCHEMBL4985064 0.82 CNR2 (0.36) GRM5
SCHEMBL4980898 0.82 DPP4 (0.34) L3MBTL1
SCHEMBL4988438 0.81 KEAP1 (0.40) GRM5ALDH1A1KMT2A
SCHEMBL4990813 0.80 PKM (0.42) GRM5ALDH1A1MEN1KMT2A
SCHEMBL4985602 0.80 KEAP1 (0.42) GRM5ALDH1A1KMT2A
SCHEMBL4985620 0.80 PTGS1 (0.43) GRM5

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 231/4885NOTUM 4392/4885ALDH1A1 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.