SCHEMBL4990762

SCHEMBL4990762

COc1ccc(F)c(CN2CCc3[c]nc(C(N)=O)nc3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.47
GRM2 Q14416 7/20 0.43
GPR6 P46095 1/20 0.36
IKBKB O14920 1/20 0.36
MAPT P10636 1/20 0.36
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL4986738 0.90 HSP90AB1 (0.45) MAPTHSP90AB1
SCHEMBL4985162 0.88 KDM4E (0.49)
SCHEMBL4988442 0.87 ABCB1 (0.39) GRM2MAPTHSP90AB1
SCHEMBL4982983 0.86 GRM2 (0.41) GRM2
SCHEMBL4988135 0.86 GRM2 (0.37) GRM2
SCHEMBL4985321 0.84 CFTR (0.44) GRM2MAPT
SCHEMBL4984986 0.83 GRM2 (0.43) GRM2MAPT
SCHEMBL4985028 0.83 KDM4E (0.45) GRM2MAPT
SCHEMBL4982516 0.82 DHFR (0.45) GRM2
SCHEMBL4988672 0.82 GRM2 (0.43) GRM2IKBKB

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 MTNR1B 444/4885GRM2 332/4885GPR6 80/4885

“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.