SCHEMBL2224398

SCHEMBL2224398

CCN(Cc1ccccc1OC(F)(F)F)[C@@H]1CCN(c2nccc(-c3ccccc3)c2C(=O)OC(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
ABL1 P00519 1/20 0.37
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
SLC6A3 Q01959 1/20 0.35
EPHX2 P34913 3/20 0.34
HTR2A P28223 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2J2 P51589 1/20 0.34
SCN9A Q15858 1/20 0.33
GLS O94925 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CCR5 P51681 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
SCHEMBL2223435 0.91 SLC6A2 (0.37) SLC6A2SLC6A4RBP4TTRSLC6A3
SCHEMBL2222558 0.91 SLC6A2 (0.38) SLC6A2SLC6A4RBP4TTRSLC6A3
SCHEMBL2224651 0.88 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2C9LMNA
SCHEMBL2224700 0.86 SLC6A2 (0.35) SLC6A2SLC6A4UBE2MDCUN1D1SLC6A3
SCHEMBL12517216 0.84 SLC6A2 (0.36) SLC6A2SLC6A4RBP4TTRUBE2M
SCHEMBL14649994 0.83 KDM4E (0.36) SLC6A2SLC6A4UBE2MDCUN1D1SLC6A3
SCHEMBL15679901 0.83 KDM4E (0.36) SLC6A2SLC6A4UBE2MDCUN1D1SLC6A3
SCHEMBL2222625 0.83 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL2223311 0.83 ADRB3 (0.37) SLC6A2SLC6A4UBE2MDCUN1D1SLC6A3
SCHEMBL2222386 0.82 OPRM1 (0.39) SLC6A2UBE2MDCUN1D1ITGB2ICAM1

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 11 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
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 SLC6A2 241/4885SLC6A4 295/4885ABL1 3400/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 SLC6A2 242/4885SLC6A4 339/4885ABL1 3369/4885

“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.