SCHEMBL4150372

SCHEMBL4150372

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c(=O)n(Cc5ccc6c(c5)OCO6)ccc14)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.47
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 5/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 3/20 0.43
PTPN7 P35236 1/20 0.42
NR5A1 Q13285 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.41
EGFR P00533 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4991116 0.95 P2RX7 (0.47) P2RX7KDM4EHPGDMAPTTP53
SCHEMBL4140996 0.89 P2RX7 (0.57) P2RX7KDM4EHPGDMAPTTP53
SCHEMBL4155031 0.86 P2RX7 (0.49) P2RX7KDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4135903 0.86 P2RX7 (0.51) P2RX7KDM4EHPGDLMNANPSR1
SCHEMBL4132630 0.86 P2RX7 (0.53) P2RX7KDM4EHPGDMAPTTP53
SCHEMBL13774198 0.85 P2RX7 (0.42) P2RX7KDM4EHPGDMAPTTP53
SCHEMBL4991283 0.84 P2RX7 (0.57) P2RX7KDM4EHPGDNR5A1HSD17B10
SCHEMBL4147936 0.84 P2RX7 (0.51) P2RX7KDM4ELMNAPOLBALDH1A1
SCHEMBL4157822 0.83 P2RX7 (0.49) P2RX7KDM4ETP53NPSR1POLB
SCHEMBL4140515 0.83 P2RX7 (0.49) P2RX7KDM4EHPGDLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US claimed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 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 (2 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885HPGD 368/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885HPGD 368/4885

“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.