SCHEMBL4133219

SCHEMBL4133219

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c(=O)n(Cc5ccc(F)cc5F)ccc14)(C3)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.48
FSCN1 Q16658 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER3 P43115 2/20 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
SCHEMBL4137660 0.91 P2RX7 (0.50) P2RX7ALDH1A1HPGDKDM4ETSHR
SCHEMBL4135903 0.89 P2RX7 (0.51) P2RX7ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4140408 0.88 P2RX7 (0.59) P2RX7FSCN1
SCHEMBL4144738 0.88 P2RX7 (0.51) P2RX7ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4155031 0.86 P2RX7 (0.49) P2RX7ALDH1A1HPGDKDM4ECNR2
SCHEMBL13774316 0.84 P2RX7 (0.43) P2RX7FSCN1ALDH1A1HPGDKDM4E
SCHEMBL4132630 0.84 P2RX7 (0.53) P2RX7ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4147936 0.82 P2RX7 (0.51) P2RX7ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL4157822 0.81 P2RX7 (0.49) P2RX7ALDH1A1KDM4ESMN1; SMN2CNR2
SCHEMBL13243884 0.81 P2RX7 (0.54) P2RX7ALDH1A1HPGDKDM4ETSHR

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 1/4885FSCN1 2820/4885ALDH1A1 3640/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885FSCN1 2820/4885ALDH1A1 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.