SCHEMBL2225901

SCHEMBL2225901

CC(C)OC(=O)c1cccnc1N(C)[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
DRD2 P14416 3/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GMNN O75496 2/20 0.53
HPGD P15428 2/20 0.53
PMP22 Q01453 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TP53 P04637 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CCR5 P51681 1/20 0.47
DRD1 P21728 1/20 0.47
HTR2A P28223 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 4/20 0.46

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
SCHEMBL12516842 0.93 DRD2 (0.60) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL19831677 0.93 DRD2 (0.60) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL12516846 0.93 DRD2 (0.60) LMNASMN1; SMN2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL2223967 0.92 DRD2 (0.59) LMNASMN1; SMN2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL14632762 0.92 DRD2 (0.59) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL2222331 0.92 SMN1; SMN2 (0.45) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL2224199 0.92 LMNA (0.50) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL2223146 0.92 LMNA (0.50) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL2221522 0.92 DRD2 (0.55) LMNASMN1; SMN2DRD2DRD4DRD3
SCHEMBL2223452 0.92 LMNA (0.50) LMNASMN1; SMN2DRD2DRD4DRD3

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
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 LMNA 611/4885SMN1; SMN2 1087/4885DRD2 2023/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 LMNA 816/4885SMN1; SMN2 1295/4885DRD2 2003/4885

“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.