SCHEMBL2222189

SCHEMBL2222189

CCc1ccccc1CN(CC)[C@H]1CCN(c2ncccc2C(=O)OC(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRK1 P41145 11/20 0.44
RBP4 P02753 1/20 0.40
TTR P02766 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 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
SCHEMBL2222191 0.91 MAPT (0.48) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2223936 0.91 MAPT (0.48) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2222623 0.90 MAPT (0.49) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2225889 0.90 MAPT (0.49) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2222619 0.90 MAPT (0.49) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL12516197 0.90 MAPT (0.51) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2224092 0.90 MAPT (0.51) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL14650637 0.90 MAPT (0.51) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2223160 0.89 MAPT (0.48) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL2221567 0.89 MAPT (0.46) MAPTLMNANPSR1KDM4EPOLB

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 14 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
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
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 MAPT 1880/4885LMNA 611/4885NPSR1 1187/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885LMNA 816/4885NPSR1 1113/4885

“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.