SCHEMBL2224700

SCHEMBL2224700

CCN(Cc1cccc(F)c1C)[C@@H]1CCN(c2nccc(-c3ccccc3)c2C(=O)OC(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
REN P00797 3/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ACACB O00763 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
MCHR1 Q99705 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL2224651 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CD274LMNA
SCHEMBL2223435 0.87 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL2222558 0.87 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL2224398 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3UBE2MDCUN1D1
SCHEMBL2222386 0.86 OPRM1 (0.39) SLC6A2SLC6A3UBE2MDCUN1D1LMNA
SCHEMBL14649994 0.86 KDM4E (0.36) SLC6A2SLC6A4SLC6A3UBE2MDCUN1D1
SCHEMBL15679901 0.84 KDM4E (0.36) SLC6A2SLC6A4SLC6A3UBE2MDCUN1D1
SCHEMBL2223227 0.84 CHRM2 (0.34) SLC6A2SLC6A4SLC6A3MAPTPDE10A
SCHEMBL2222625 0.83 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3LMNAACACB
SCHEMBL2223311 0.83 ADRB3 (0.37) SLC6A2SLC6A4SLC6A3UBE2MDCUN1D1

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
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
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 295/4885SLC6A3 542/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 SLC6A2 242/4885SLC6A4 339/4885SLC6A3 565/4885

“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.