SCHEMBL2223227

SCHEMBL2223227

CCN(Cc1ccc(C)s1)[C@@H]1CCN(c2nccc(-c3ccccc3)c2C(=O)OC(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
AGTR2 P50052 4/20 0.34
ADRB3 P13945 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MCHR1 Q99705 2/20 0.32
OPRK1 P41145 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2222277 0.93 ADRB3 (0.33) ADRB3SLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL12516182 0.89 OPRK1 (0.33) CHRM2CHRM1CHRM3AGTR2KDM4E
SCHEMBL2222759 0.89 CHRM2 (0.35) CHRM2CHRM1CHRM3AGTR2ADRB3
SCHEMBL2224651 0.87 SLC6A2 (0.38) CHRM3ADRB3SLC6A2SLC6A4SLC6A3
SCHEMBL14649994 0.87 KDM4E (0.36) ADRB3KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL2222625 0.86 ALDH1A1 (0.36) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL14553948 0.85 CHRM2 (0.35) CHRM2CHRM1CHRM3ADRB3KDM4E
SCHEMBL2223435 0.85 SLC6A2 (0.37) ADRB3SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL15679901 0.85 KDM4E (0.36) ADRB3KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL2223311 0.85 ADRB3 (0.37) ADRB3KDM4ESLC6A2SLC6A4SLC6A3

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 9 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

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 CHRM2 372/4885CHRM1 418/4885CHRM3 179/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 CHRM2 291/4885CHRM1 305/4885CHRM3 165/4885

“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.