SCHEMBL4984986

SCHEMBL4984986

COc1cc(CN2CCc3[c]nc(C(N)=O)nc3C2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.43
KMT2A Q03164 3/20 0.40
PDE2A O00408 1/20 0.39
DRD4 P21917 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
ABCB1 P08183 2/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL4983018 0.92 KMT2A (0.45) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL4986695 0.88 KDM4E (0.52) GRM2KMT2AKDM4EALDH1A1MAPT
SCHEMBL4987158 0.85 MAPK1 (0.51) KMT2AKDM4EALDH1A1HTTMEN1
SCHEMBL4988442 0.85 ABCB1 (0.39) GRM2MAPTABCB1
SCHEMBL4985321 0.84 CFTR (0.44) GRM2MAPTABCB1
SCHEMBL4985287 0.84 NPC1 (0.54) KMT2AKDM4EALDH1A1HTTMEN1
SCHEMBL4990906 0.84 GRM2 (0.39) GRM2KMT2APDE2ADRD4GPR52
SCHEMBL4990762 0.83 MTNR1B (0.47) GRM2MAPT
SCHEMBL4992348 0.83 DPP4 (0.44) GRM2PDE2AGPR52
SCHEMBL4988549 0.83 GRM2 (0.43) GRM2KMT2AKDM4EALDH1A1HTT

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 GRM2 332/4885KMT2A 4614/4885PDE2A 1483/4885

“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.