SCHEMBL2222782

SCHEMBL2222782

CC(Cc1c(F)cccc1Cl)NCc1ccc(CN2CCN(c3ncccc3C(=O)OC(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.51
GPR6 P46095 3/20 0.42
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
EPHX2 P34913 1/20 0.37
CHRM4 P08173 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2221823 0.91 MAPT (0.53) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2223056 0.90 L3MBTL1 (0.58) MAPTL3MBTL1KDM4EPOLBNPSR1
Hydrochloric Acid SCHEMBL2223177 0.90 MAPT (0.52) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222914 0.87 MAPT (0.51) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222920 0.86 MAPT (0.54) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2221569 0.86 MAPT (0.54) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2221956 0.85 MAPT (0.52) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222133 0.84 MAPT (0.51) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2224105 0.84 MAPT (0.43) MAPTL3MBTL1KDM4EPOLBNPSR1
Hydrochloric Acid SCHEMBL2222658 0.83 MAPT (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO claimed
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.