SCHEMBL2223028

SCHEMBL2223028

CCc1ccccc1CN1CCN(c2ncccc2C(=O)OC(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CHIA Q9BZP6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HBB P68871 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL14632780 0.93 MAPT (0.60) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2222919 0.90 MAPT (0.59) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2222116 0.88 MAPT (0.62) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2351404 0.88 MAPT (0.57) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2221498 0.88 MAPT (0.57) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2222820 0.88 MAPT (0.53) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2221551 0.87 MAPT (0.66) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL14485572 0.86 MAPT (0.57) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2224197 0.86 MAPT (0.62) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL2224342 0.85 MAPT (0.56) MAPTLMNAKDM4EPOLBNPSR1

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 15 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
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 611/4885KDM4E 3172/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885LMNA 816/4885KDM4E 3267/4885

“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.