SCHEMBL2222277

SCHEMBL2222277

CCc1ccc(CN(CC)[C@@H]2CCN(c3nccc(-c4ccccc4)c3C(=O)OC(C)C)C2)s1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MCHR1 Q99705 3/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL2223227 0.93 CHRM2 (0.34) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL2222759 0.89 CHRM2 (0.35) ADRB3SLC6A2SLC6A4SLC6A3AAK1
SCHEMBL2222625 0.87 ALDH1A1 (0.36) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL14553948 0.86 CHRM2 (0.35) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL2223435 0.86 SLC6A2 (0.37) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL2224651 0.86 SLC6A2 (0.38) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL14649994 0.86 KDM4E (0.36) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL15679901 0.86 KDM4E (0.36) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL2223311 0.85 ADRB3 (0.37) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL2224463 0.85 MAPT (0.46) AAK1LMNAMAPT

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 ADRB3 224/4885SLC6A2 241/4885SLC6A4 295/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ADRB3 248/4885SLC6A2 242/4885SLC6A4 339/4885

“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.