SCHEMBL4135942

SCHEMBL4135942

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c1CCN(Cc1c(F)cccc1F)C4=O)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
LMNA P02545 9/20 0.39
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 5/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL4137906 0.92 ALDH1A1 (0.45) EPHX2LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4147847 0.89 P2RX7 (0.46) EPHX2LMNAALDH1A1P2RX7
SCHEMBL4140616 0.88 LMNA (0.51) LMNAALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL4140362 0.88 ALDH1A1 (0.40) EPHX2LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4144957 0.84 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL4140491 0.84 LMNA (0.41) LMNAALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL5608843 0.83 ALDH1A1 (0.42) EPHX2LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4141762 0.82 EPHX2 (0.42) EPHX2LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4144815 0.82 P2RX7 (0.36) LMNAALDH1A1SMN1; SMN2MAPTP2RX7
SCHEMBL4153793 0.82 P2RX7 (0.36) EPHX2LMNAALDH1A1HTTMAPT

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 EPHX2 569/4885LMNA 1911/4885ALDH1A1 3640/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 EPHX2 569/4885LMNA 1911/4885ALDH1A1 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.