SCHEMBL13047263

SCHEMBL13047263

COCCn1ccc2c(NC(=O)CCc3cccc(Cl)c3)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
P2RX7 Q99572 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
GRM2 Q14416 4/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 4/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PDE10A Q9Y233 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL13047254 0.90 TP53 (0.54) TP53P2RX7RXFP1GRM2RAB9A
SCHEMBL13047259 0.90 TP53 (0.53) TP53P2RX7RXFP1GRM2RAB9A
SCHEMBL13046691 0.89 GRM2 (0.60) TP53RXFP1GRM2RAB9APOLB
SCHEMBL13046909 0.87 P2RX7 (0.49) TP53P2RX7RXFP1GRM2POLB
SCHEMBL13047195 0.85 POLB (0.52) TP53P2RX7SMN1; SMN2POLBKMT2A
SCHEMBL13047201 0.85 GRM2 (0.59) TP53P2RX7RXFP1GRM2RAB9A
SCHEMBL13047138 0.85 P2RX7 (0.48) P2RX7GRM2RAB9ASMN1; SMN2POLB
SCHEMBL13046701 0.84 TP53 (0.55) TP53P2RX7RXFP1GRM2RAB9A
SCHEMBL13047221 0.83 TP53 (0.57) TP53P2RX7RXFP1GRM2RAB9A
SCHEMBL13046702 0.83 TP53 (0.49) TP53RXFP1MAPTSMN1; SMN2POLB

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 TP53 4589/4885P2RX7 1/4885RXFP1 1036/4885

“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.