SCHEMBL2222845

SCHEMBL2222845

CCN(Cc1cccc(Oc2ccccc2)c1)[C@@H]1CCN(c2nccc(C)c2C(=O)OC(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CCR8 P51685 3/20 0.38
PTGES O14684 1/20 0.37
UBE2M P61081 5/20 0.37
DCUN1D1 Q96GG9 5/20 0.37
SLC6A9 P48067 2/20 0.36
SLC6A5 Q9Y345 2/20 0.36
KCNH2 Q12809 1/20 0.36
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 1/20 0.36
FAAH O00519 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL2223015 0.94 FAAH (0.40) KDM4EUBE2MDCUN1D1FAAH
SCHEMBL2221367 0.92 THRB (0.41) KDM4EUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL2226396 0.91 CCR5 (0.40) KDM4EUBE2MDCUN1D1KCNH2MEN1
SCHEMBL2223593 0.91 SLC6A9 (0.36) KDM4EUBE2MDCUN1D1SLC6A9SLC6A5
SCHEMBL14485091 0.91 KDM4E (0.42) KDM4ECCR8PTGESSLC6A9SLC6A5
SCHEMBL2225541 0.88 MAPT (0.46) KDM4ECCR8PTGESUBE2MDCUN1D1
SCHEMBL2224167 0.88 MAPT (0.46) KDM4ECCR8PTGESUBE2MDCUN1D1
SCHEMBL2222731 0.87 SLC6A2 (0.41) UBE2MDCUN1D1KCNH2CCR5
SCHEMBL2222776 0.87 L3MBTL1 (0.39) KDM4EUBE2MDCUN1D1CCR5
SCHEMBL2224726 0.86 SLC6A9 (0.39) KDM4EUBE2MDCUN1D1SLC6A9SLC6A5

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 12 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
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 KDM4E 3172/4885CCR8 3352/4885PTGES 629/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 KDM4E 3267/4885CCR8 3923/4885PTGES 602/4885

“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.