SCHEMBL4984763

SCHEMBL4984763

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1ccnc(Cl)c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.39
GFER P55789 1/20 0.37
HPGD P15428 2/20 0.35
GRM5 P41594 8/20 0.34
HSP90AB1 P08238 1/20 0.34
TACR3 P29371 1/20 0.34
KCNH2 Q12809 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL4986032 0.86 HPGD (0.45) HPGDTACR3P2RX7
SCHEMBL4985116 0.85 HPGD (0.52) HPGDGRM5HSP90AB1
SCHEMBL4992284 0.85 GRM5 (0.48) GRM5
SCHEMBL4988052 0.85 HSP90AB1 (0.42) HPGDGRM5HSP90AB1
SCHEMBL4988856 0.85 GRM5 (0.39) GRM5HSP90AB1KCNH2
SCHEMBL4985620 0.82 PTGS1 (0.43) HPGDGRM5KCNH2
SCHEMBL4984810 0.82 KMT2A (0.43) GRM5TACR3
SCHEMBL4988575 0.82 NPC1 (0.46) HPGDGRM5
SCHEMBL4983097 0.81 GRM5 (0.48) HPGDGRM5P2RX7
SCHEMBL4989744 0.81 ALDH1A1 (0.51) GFERHPGDGRM5KCNH2MAPK1

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 PROKR1 2275/4885GFER 3782/4885HPGD 368/4885

“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.