SCHEMBL4157822

SCHEMBL4157822

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c(=O)n(Cc5ccc(C(F)(F)F)cc5)ccc14)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.49
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4135903 0.92 P2RX7 (0.51) P2RX7KDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL4132630 0.90 P2RX7 (0.53) P2RX7KDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL4147936 0.89 P2RX7 (0.51) P2RX7KDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL4144548 0.88 P2RX7 (0.60) P2RX7
SCHEMBL4155031 0.87 P2RX7 (0.49) P2RX7KDM4EALDH1A1CNR2
SCHEMBL4140515 0.87 P2RX7 (0.49) P2RX7KDM4EALDH1A1CNR2POLB
SCHEMBL4144738 0.85 P2RX7 (0.51) P2RX7KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL14135202 0.84 P2RX7 (0.43) P2RX7KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL4157438 0.84 P2RX7 (0.49) P2RX7KDM4EPOLB
SCHEMBL4137660 0.83 P2RX7 (0.50) P2RX7KDM4EALDH1A1TP53

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 11 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-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 4128/4885ALDH1A1 3640/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.