SCHEMBL4155031

SCHEMBL4155031

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c(=O)n(Cc5ccc(F)c(F)c5)ccc14)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.49
PDPK1 O15530 5/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
EPHX2 P34913 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
SCHEMBL4135903 0.92 P2RX7 (0.51) P2RX7CNR2KDM4EALDH1A1HPGD
SCHEMBL4144738 0.88 P2RX7 (0.51) P2RX7KDM4EALDH1A1HPGDEPHX2
SCHEMBL4139008 0.88 P2RX7 (0.60) P2RX7PDPK1
SCHEMBL4132630 0.88 P2RX7 (0.53) P2RX7CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL4157822 0.87 P2RX7 (0.49) P2RX7CNR2KDM4EALDH1A1
SCHEMBL4137660 0.87 P2RX7 (0.50) P2RX7KDM4EALDH1A1HPGDEPHX2
SCHEMBL4991116 0.86 P2RX7 (0.47) P2RX7KDM4EALDH1A1HPGD
SCHEMBL4150372 0.86 P2RX7 (0.47) P2RX7KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL4133219 0.86 P2RX7 (0.48) P2RX7CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL4147936 0.86 P2RX7 (0.51) P2RX7CNR2KDM4EALDH1A1

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 9 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
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US 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 1/4885PDPK1 504/4885CNR2 42/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885PDPK1 504/4885CNR2 42/4885

“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.