SCHEMBL2223642

SCHEMBL2223642

CCN(Cc1cccc(OC(C)C)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 5/20 0.39
DCUN1D1 Q96GG9 5/20 0.39
SLC6A9 P48067 2/20 0.38
SLC6A5 Q9Y345 2/20 0.38
FAAH O00519 1/20 0.38
KCNH2 Q12809 1/20 0.37
ADRB3 P13945 2/20 0.36
PTGDR Q13258 1/20 0.34
ACACB O00763 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GMNN O75496 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
SCHEMBL2224726 0.95 SLC6A9 (0.39) UBE2MDCUN1D1SLC6A9SLC6A5FAAH
SCHEMBL2222100 0.95 UBE2M (0.39) UBE2MDCUN1D1SLC6A9SLC6A5FAAH
SCHEMBL2222386 0.91 OPRM1 (0.39) UBE2MDCUN1D1SLC6A9SLC6A5KCNH2
SCHEMBL2223311 0.89 ADRB3 (0.37) UBE2MDCUN1D1ADRB3ACACBADRB2
SCHEMBL2224947 0.88 CCR5 (0.38) UBE2MDCUN1D1ADRB3ACACBKDM4E
SCHEMBL2224442 0.88 CFTR (0.39) UBE2MDCUN1D1ADRB3ACACBKDM4E
SCHEMBL14649994 0.88 KDM4E (0.36) UBE2MDCUN1D1ADRB3ACACBKDM4E
SCHEMBL15679901 0.88 KDM4E (0.36) UBE2MDCUN1D1ADRB3ACACBKDM4E
SCHEMBL2222666 0.87 ADRB3 (0.37) UBE2MDCUN1D1ADRB3ACACBADRB2
SCHEMBL2223435 0.86 SLC6A2 (0.37) KCNH2ADRB3PTGDRPOLBMAPT

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
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 3698/4885SLC6A9 392/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 UBE2M 2641/4885DCUN1D1 3541/4885SLC6A9 479/4885

“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.