SCHEMBL4986931

SCHEMBL4986931

CC(=O)N1CCC(C(=O)N2CCc3[c]nc(C(N)=O)nc3C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.37
ACACA Q13085 6/20 0.37
GRM5 P41594 5/20 0.34
REV1 Q9UBZ9 1/20 0.33
PARP1 P09874 1/20 0.33
TACR1 P25103 1/20 0.33
RIPK1 Q13546 2/20 0.33
LMNA P02545 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL4982838 0.91 GRM5 (0.38) GRM5LMNA
SCHEMBL4988438 0.89 KEAP1 (0.40) GRM5LMNA
SCHEMBL4985602 0.87 KEAP1 (0.42) GRM5LMNA
SCHEMBL4990989 0.87 GRM5 (0.35) GRM5
SCHEMBL4988240 0.76 CNR2 (0.42) RIPK1
SCHEMBL5013858 0.74 GRM5 (0.33) GRM5
SCHEMBL4988256 0.74 ADORA2A (0.46) GRM5LMNA
SCHEMBL4988610 0.74 CGAS (0.36) GRM5PARP1LMNA
SCHEMBL4980898 0.74 DPP4 (0.34) PARP1TACR3
SCHEMBL4985064 0.74 CNR2 (0.36) GRM5FNTAFNTB

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 ACACB 4129/4885ACACA 3957/4885GRM5 231/4885

“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.