SCHEMBL2222896

SCHEMBL2222896

CC(C)OC(=O)c1cccnc1N1CCN(Cc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.56
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 1/20 0.48
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1B P28222 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL12517036 0.90 MAPT (0.56) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222557 0.89 MAPT (0.59) MAPTKDM4ENPSR1POLBL3MBTL1
Hydrochloric Acid SCHEMBL2222583 0.89 MAPT (0.55) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL12516114 0.89 MAPT (0.59) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2224333 0.88 MAPT (0.61) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222568 0.88 MAPT (0.61) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2224197 0.88 MAPT (0.62) MAPTKDM4ENPSR1POLBL3MBTL1
Hydrochloric Acid SCHEMBL2223700 0.88 MAPT (0.58) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222628 0.87 MAPT (0.54) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2223276 0.87 KDM4E (0.60) MAPTKDM4ENPSR1POLBL3MBTL1

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 1880/4885KDM4E 3172/4885NPSR1 1187/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885KDM4E 3267/4885NPSR1 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.