SCHEMBL13047201

SCHEMBL13047201

COCCn1ccc2c(NC(=O)CCc3ccc(OC)cc3)cccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.59
TP53 P04637 2/20 0.54
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HDAC1 Q13547 1/20 0.47
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL13046691 0.90 GRM2 (0.60) GRM2TP53RAB9AKDM4ERXFP1
SCHEMBL13047254 0.90 TP53 (0.54) GRM2TP53RAB9AKDM4ERXFP1
SCHEMBL13047211 0.90 GRM2 (0.59) GRM2TP53RAB9AKDM4EMAPK1
SCHEMBL13046853 0.89 GRM2 (0.57) GRM2TP53RAB9AGAAKDM4E
SCHEMBL13047152 0.87 GAA (0.54) GRM2TP53RAB9AGAAKDM4E
SCHEMBL1591166 0.85 GRM2 (0.53) GRM2TP53RAB9AGAAKDM4E
SCHEMBL13047259 0.85 TP53 (0.53) GRM2TP53RAB9ARXFP1P2RX7
SCHEMBL13046948 0.85 GRM2 (0.54) GRM2GAAKDM4EMAPK1
SCHEMBL13047221 0.85 TP53 (0.57) GRM2TP53RAB9AKDM4ERXFP1
SCHEMBL13047263 0.85 TP53 (0.52) GRM2TP53RAB9ARXFP1P2RX7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed

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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885TP53 4589/4885RAB9A 3422/4885

“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.