SCHEMBL4980889

SCHEMBL4980889

COc1ccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.48
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
P2RX3 P56373 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL4988633 0.92 P2RX7 (0.47) P2RX7KMT2AMEN1P2RX3POLB
SCHEMBL4987025 0.91 EPHX2 (0.40) P2RX7KDM4EKMT2AMEN1P2RX3
SCHEMBL4980967 0.91 EPHX2 (0.41) P2RX7KDM4EP2RX3ALDH1A1POLB
SCHEMBL4991158 0.90 P2RX7 (0.47) P2RX7P2RX3EPHX2LMNAMAPT
SCHEMBL4991090 0.90 P2RX7 (0.48) P2RX7KMT2AMEN1EPHX2
SCHEMBL14272513 0.90 TSHR (0.48) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL4985490 0.88 P2RX7 (0.48) P2RX7KMT2AMEN1P2RX3ALDH1A1
SCHEMBL4992530 0.88 P2RX7 (0.44) P2RX7KMT2AMEN1ALDH1A1EPHX2
SCHEMBL4990757 0.87 P2RX7 (0.47) P2RX7P2RX3EPHX2
SCHEMBL13532689 0.86 KDM4E (0.45) KDM4EKMT2AMEN1ALDH1A1POLB

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-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
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885KMT2A 4614/4885

“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.