SCHEMBL2223644

SCHEMBL2223644

CC(C)OC(=O)c1cccnc1N1CCN(Cc2ccc(COc3ccc(Cl)cc3Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MAPT P10636 3/20 0.61
POLB P06746 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 3/20 0.51
EPHX2 P34913 1/20 0.45
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.42
MC4R P32245 3/20 0.42
ACHE P22303 1/20 0.41
CCR5 P51681 1/20 0.41
RBP4 P02753 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2224600 0.94 MAPT (0.61) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2224255 0.92 KDM4E (0.55) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL12517220 0.92 MAPT (0.55) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2225568 0.91 MAPT (0.60) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2221343 0.90 KDM4E (0.56) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2224910 0.89 KDM4E (0.56) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2225650 0.88 MAPT (0.55) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2224853 0.87 S1PR1 (0.55) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL14485706 0.86 MAPT (0.59) KDM4EMAPTPOLBNPSR1L3MBTL1
SCHEMBL2221551 0.86 MAPT (0.66) KDM4EMAPTPOLBNPSR1L3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO claimed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B KDM4E 3172/4885MAPT 1880/4885POLB 2987/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 KDM4E 3267/4885MAPT 2771/4885POLB 3383/4885

“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.