SCHEMBL4987150

SCHEMBL4987150

CCc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.44
PTGDR Q13258 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
CYP2C9 P11712 1/20 0.42
PTGER2 P43116 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
DRD3 P35462 3/20 0.39
DRD2 P14416 1/20 0.39
P2RX7 Q99572 3/20 0.39
GRM5 P41594 1/20 0.39
MTHFD2 P13995 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 1/20 0.38
F2 P00734 1/20 0.37
F12 P00748 1/20 0.37

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
SCHEMBL4990817 0.87 PKM (0.46) SLC6A7P2RX7GRM5MTHFD2HPGD
SCHEMBL4988057 0.84 P2RX7 (0.45) P2RX7GRM5HPGD
SCHEMBL4982979 0.84 GRM5 (0.50) P2RX7GRM5
SCHEMBL4985624 0.84 P2RX7 (0.49) P2RX7GRM5HPGDF12
SCHEMBL4989547 0.84 HPGD (0.49) SLC6A7DRD3DRD2GRM5HPGD
SCHEMBL4983032 0.84 ALDH1A1 (0.48) HPGD
SCHEMBL4984728 0.81 GRM5 (0.47) SLC6A7P2RX7GRM5CYP2D6
SCHEMBL4989574 0.81 MEN1 (0.48) SLC6A7P2RX7HPGD
SCHEMBL4993564 0.81 EPHX2 (0.45) GRM5
SCHEMBL4986041 0.79 HPGD (0.49) P2RX7HPGD

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 SLC6A7 2248/4885PTGDR 106/4885PTGDR2 134/4885

“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.