SCHEMBL2222776

SCHEMBL2222776

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
CCR5 P51681 2/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
ACACB O00763 3/20 0.38
BCHE P06276 1/20 0.37
CACNA1B Q00975 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL2226396 0.94 CCR5 (0.40) CCR5UBE2MDCUN1D1ACACBKDM4E
SCHEMBL2224947 0.91 CCR5 (0.38) L3MBTL1CCR5UBE2MDCUN1D1ACACB
SCHEMBL2224420 0.90 HTR2A (0.39) ACACB
SCHEMBL2223035 0.90 ACACB (0.38) ACACB
SCHEMBL2221583 0.90 HTR2A (0.38) ACACB
SCHEMBL2223104 0.90 CCR5 (0.39) CCR5UBE2MDCUN1D1ACACBKDM4E
SCHEMBL2225596 0.89 SLC1A5 (0.35) CCR5UBE2MDCUN1D1ACACBALDH1A1
SCHEMBL2224065 0.88 MAPT (0.44) L3MBTL1CCR5UBE2MDCUN1D1ACACB
SCHEMBL12516843 0.88 MAPT (0.44) L3MBTL1CCR5UBE2MDCUN1D1ACACB
SCHEMBL2225571 0.88 MAPT (0.44) L3MBTL1CCR5UBE2MDCUN1D1ACACB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 3824/4885CCR5 1640/4885UBE2M 2212/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 L3MBTL1 4180/4885CCR5 1398/4885UBE2M 2641/4885

“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.