SCHEMBL2223452

SCHEMBL2223452

CCOc1ccc(CN2CC[C@@H](N(C)c3ncccc3C(=O)OC(C)C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GMNN O75496 2/20 0.50
HPGD P15428 2/20 0.50
PMP22 Q01453 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
DRD1 P21728 1/20 0.49
HTR2A P28223 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.40
S1PR5 Q9H228 2/20 0.39

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
SCHEMBL2222962 0.94 DRD2 (0.48) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL2223297 0.94 DRD2 (0.48) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL2224271 0.92 S1PR5 (0.51) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL2225567 0.92 DRD2 (0.47) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL2225901 0.92 LMNA (0.53) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL2221522 0.91 DRD2 (0.55) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL19831677 0.91 DRD2 (0.60) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL12516842 0.91 DRD2 (0.60) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL12516846 0.91 DRD2 (0.60) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL2223998 0.91 DRD4 (0.48) LMNADRD2DRD4DRD3ALDH1A1

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 13 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
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
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 LMNA 611/4885DRD2 2023/4885DRD4 2729/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 LMNA 816/4885DRD2 2003/4885DRD4 2850/4885

“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.