SCHEMBL2222331

SCHEMBL2222331

COC(=O)c1ccc(COc2ccc(CN3CC[C@@H](N(C)c4ncccc4C(=O)OC(C)C)C3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GMNN O75496 2/20 0.45
HPGD P15428 2/20 0.45
PMP22 Q01453 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL2225901 0.92 LMNA (0.53) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL2223452 0.89 LMNA (0.50) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL2222962 0.86 DRD2 (0.48) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL2223297 0.86 DRD2 (0.48) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL2222594 0.86 S1PR1 (0.49) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL12517066 0.86 S1PR1 (0.49) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL2225567 0.86 DRD2 (0.47) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL2221522 0.86 DRD2 (0.55) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL19831677 0.85 DRD2 (0.60) SMN1; SMN2DRD2DRD4DRD3LMNA
SCHEMBL12516846 0.85 DRD2 (0.60) SMN1; SMN2DRD2DRD4DRD3LMNA

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
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 SMN1; SMN2 1087/4885DRD2 2023/4885DRD4 2729/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 SMN1; SMN2 1295/4885DRD2 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.