SCHEMBL2225080

SCHEMBL2225080

CCOC(=O)COc1ccccc1CN(CC)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RBP4 P02753 1/20 0.39
TTR P02766 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2222191 0.89 MAPT (0.48) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2222608 0.88 LMNA (0.45) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL12516132 0.88 LMNA (0.45) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2224176 0.88 LMNA (0.45) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2222189 0.87 MAPT (0.48) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2221567 0.87 MAPT (0.46) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2223160 0.87 MAPT (0.48) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL12516858 0.85 MAPT (0.44) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2225118 0.85 MAPT (0.52) OPRK1MAPTLMNANPSR1KDM4E
SCHEMBL2225096 0.85 MAPT (0.52) OPRK1MAPTLMNANPSR1KDM4E

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-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-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US 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
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 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 OPRK1 467/4885MAPT 1880/4885LMNA 611/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 OPRK1 523/4885MAPT 2771/4885LMNA 816/4885

“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.