SCHEMBL2222100

SCHEMBL2222100

CCN(Cc1cccc(OC)c1)[C@@H]1CCN(c2nccc(-c3ccccc3)c2C(=O)OC(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CCR5 P51681 2/20 0.38
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
THRB P10828 1/20 0.36
ELANE P08246 1/20 0.35
ADRB3 P13945 1/20 0.35
FAAH O00519 1/20 0.35
ACACB O00763 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
SCHEMBL2224726 0.95 SLC6A9 (0.39) UBE2MDCUN1D1CCR5SLC6A9KCNH2
SCHEMBL2223642 0.95 UBE2M (0.39) UBE2MDCUN1D1SLC6A9KCNH2SLC6A5
SCHEMBL2224442 0.92 CFTR (0.39) UBE2MDCUN1D1CCR5CHRM5ELANE
SCHEMBL2222386 0.90 OPRM1 (0.39) UBE2MDCUN1D1CCR5SLC6A9KCNH2
SCHEMBL2221367 0.89 THRB (0.41) UBE2MDCUN1D1CCR5SLC6A9KCNH2
SCHEMBL2222889 0.88 MAPK1 (0.38) THRBKMT2ATSHRMEN1ALDH1A1
SCHEMBL2223311 0.88 ADRB3 (0.37) UBE2MDCUN1D1CCR5ADRB3ACACB
SCHEMBL2224947 0.87 CCR5 (0.38) UBE2MDCUN1D1CCR5ADRB3ACACB
SCHEMBL15679901 0.87 KDM4E (0.36) UBE2MDCUN1D1CCR5ADRB3ACACB
SCHEMBL14649994 0.87 KDM4E (0.36) UBE2MDCUN1D1ADRB3ACACBKMT2A

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 13 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

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 UBE2M 2212/4885DCUN1D1 3698/4885CCR5 1640/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 UBE2M 2641/4885DCUN1D1 3541/4885CCR5 1398/4885

“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.