SCHEMBL2224947

SCHEMBL2224947

CCN(Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(c2nccc(-c3ccccc3)c2C(=O)OC(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1B Q00975 3/20 0.38
ADRB3 P13945 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
ACACB O00763 3/20 0.37
BCHE P06276 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MCHR1 Q99705 1/20 0.36
S1PR5 Q9H228 1/20 0.35
DGAT1 O75907 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
SCHEMBL2223311 0.95 ADRB3 (0.37) CCR5ADRB3UBE2MDCUN1D1ACACB
SCHEMBL2222666 0.93 ADRB3 (0.37) ADRB3UBE2MDCUN1D1ACACBKDM4E
SCHEMBL2224442 0.92 CFTR (0.39) CCR5ADRB3UBE2MDCUN1D1ACACB
SCHEMBL15679901 0.92 KDM4E (0.36) CCR5ADRB3UBE2MDCUN1D1ACACB
SCHEMBL2222776 0.91 L3MBTL1 (0.39) CCR5L3MBTL1CACNA1BUBE2MDCUN1D1
SCHEMBL14649994 0.91 KDM4E (0.36) ADRB3UBE2MDCUN1D1ACACBKDM4E
SCHEMBL14632791 0.89 UBE2M (0.41) CCR5UBE2MDCUN1D1ACACBKDM4E
SCHEMBL2222889 0.89 MAPK1 (0.38) KDM4EALDH1A1S1PR5
SCHEMBL2224726 0.88 SLC6A9 (0.39) CCR5L3MBTL1ADRB3UBE2MDCUN1D1
SCHEMBL2223642 0.88 UBE2M (0.39) L3MBTL1ADRB3UBE2MDCUN1D1ACACB

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 8 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-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 CCR5 1640/4885L3MBTL1 3824/4885CACNA1B 4/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 CCR5 1398/4885L3MBTL1 4180/4885CACNA1B 5/4885

“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.