SCHEMBL4132835

SCHEMBL4132835

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c(=O)n(Cc5ccco5)ccc14)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.50
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 7/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NR5A1 Q13285 1/20 0.37

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
SCHEMBL4155133 0.88 P2RX7 (0.62) P2RX7KMT2APOLBNPSR1ALDH1A1
SCHEMBL4132630 0.86 P2RX7 (0.53) P2RX7KMT2APOLBLMNATP53
SCHEMBL4144738 0.84 P2RX7 (0.51) P2RX7KMT2ATP53MAPTALDH1A1
SCHEMBL4135903 0.84 P2RX7 (0.51) P2RX7KMT2ALMNANPSR1ALDH1A1
SCHEMBL4147936 0.84 P2RX7 (0.51) P2RX7POLBLMNAALDH1A1
SCHEMBL13774238 0.83 P2RX7 (0.44) P2RX7NPC1KMT2APOLBLMNA
SCHEMBL13243884 0.83 P2RX7 (0.54) P2RX7ALDH1A1HPGDMAPK1
SCHEMBL4137660 0.83 P2RX7 (0.50) P2RX7KMT2ALMNATP53MAPT
SCHEMBL4133269 0.83 P2RX7 (0.48) P2RX7ALDH1A1
SCHEMBL4147036 0.82 P2RX7 (0.49) P2RX7KMT2APOLB

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 1/4885NPC1 2233/4885KMT2A 4614/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885NPC1 2233/4885KMT2A 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.