SCHEMBL13047152

SCHEMBL13047152

COc1ccc(CCC(=O)Nc2cccc3c(=O)n(C)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
GRM2 Q14416 2/20 0.53
HDAC1 Q13547 1/20 0.51
RAB9A P51151 1/20 0.49
HCAR2 Q8TDS4 2/20 0.48
POLB P06746 4/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 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
SCHEMBL13046669 0.89 GRM2 (0.55) GRM2RAB9AHCAR2POLBTP53
SCHEMBL13047170 0.89 ALDH1A1 (0.55) GAAGRM2RAB9APOLBLMNA
SCHEMBL13047201 0.87 GRM2 (0.59) GAAGRM2HDAC1RAB9AALDH1A1
SCHEMBL13046853 0.85 GRM2 (0.57) GAAGRM2HDAC1RAB9AHCAR2
SCHEMBL1590357 0.84 P2RX7 (0.58) GAAGRM2HDAC1RAB9AHCAR2
SCHEMBL1591166 0.84 GRM2 (0.53) GAAGRM2HDAC1RAB9AHCAR2
SCHEMBL13047982 0.83 GAA (0.52) GAAGRM2HDAC1RAB9APOLB
SCHEMBL13046948 0.82 GRM2 (0.54) GAAGRM2POLBKDM4EMAPT
SCHEMBL13047676 0.81 GRM2 (0.51) GAAGRM2HDAC1RAB9AALDH1A1
SCHEMBL19276596 0.81 NPC1 (0.63) GAAGRM2HDAC1RAB9APOLB

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 GAA 4179/4885GRM2 332/4885HDAC1 2358/4885

“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.