SCHEMBL2222576

SCHEMBL2222576

CCN(Cc1cccc(CN(CC)[C@@H]2CCN(c3ncccc3C(=O)OC(C)C)C2)c1)Cc1c(F)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.42
OPRK1 P41145 7/20 0.38
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
HSD11B1 P28845 1/20 0.34
SLC6A9 P48067 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
KIF18A Q8NI77 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL2224108 0.96 L3MBTL1 (0.44) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222572 0.89 MAPT (0.43) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL12517306 0.87 MAPT (0.52) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL14650600 0.87 MAPT (0.44) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL13822302 0.86 KCNH2 (0.35) L3MBTL1KDM4EALDH1A1KMT2AATM
SCHEMBL2225299 0.86 MAPT (0.42) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2225036 0.86 MAPT (0.50) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222786 0.86 KDM4E (0.51) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2224105 0.84 MAPT (0.43) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2224063 0.82 MAPT (0.48) MAPTL3MBTL1KDM4EPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
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
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 1880/4885L3MBTL1 3824/4885KDM4E 3172/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885L3MBTL1 4180/4885KDM4E 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.