SCHEMBL2223191

SCHEMBL2223191

CCCCOc1cccc(CN(CC)[C@@H]2CCN(c3ncccc3C(=O)OC(C)C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.43
OPRK1 P41145 8/20 0.41
CYP2D6 P10635 6/20 0.40
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
FFAR1 O14842 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL2223352 0.96 MAPT (0.46) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2224063 0.94 MAPT (0.48) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL12517306 0.91 MAPT (0.52) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2221385 0.91 MAPT (0.45) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2225541 0.90 MAPT (0.46) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2224167 0.90 MAPT (0.46) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222629 0.90 MAPT (0.43) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2225036 0.89 MAPT (0.50) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222432 0.89 MAPT (0.44) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2226295 0.89 MAPT (0.45) MAPTKDM4EPOLBNPSR1L3MBTL1

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
CN-102802627-A Voltage-gated sodium channel blockers GLAXO GROUP LTD 2012-11-28 CN 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-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
CN-102802627-A Voltage-gated sodium channel blockers GLAXO GROUP LTD 2012-11-28 CN 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 MAPT 1880/4885KDM4E 3172/4885POLB 2987/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885KDM4E 3267/4885POLB 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.