SCHEMBL2222594

SCHEMBL2222594

Cc1ccccc1COc1ccc(CN2CC[C@@H](N(C)c3ncccc3C(=O)OC(C)C)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
S1PR5 Q9H228 2/20 0.49
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GMNN O75496 2/20 0.47
HPGD P15428 2/20 0.47
PMP22 Q01453 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CCR5 P51681 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL12517066 1.00 S1PR1 (0.49) S1PR1S1PR5DRD2DRD4DRD3
SCHEMBL2225901 0.91 LMNA (0.53) S1PR5DRD2DRD4DRD3LMNA
SCHEMBL2224761 0.90 ALDH1A1 (0.47) DRD2DRD4DRD3LMNASMN1; SMN2
SCHEMBL2223452 0.89 LMNA (0.50) S1PR5DRD2DRD4DRD3LMNA
SCHEMBL2221522 0.87 DRD2 (0.55) DRD2DRD4DRD3LMNASMN1; SMN2
SCHEMBL19831677 0.87 DRD2 (0.60) DRD2DRD4DRD3LMNASMN1; SMN2
SCHEMBL12516846 0.87 DRD2 (0.60) DRD2DRD4DRD3LMNASMN1; SMN2
SCHEMBL12516842 0.87 DRD2 (0.60) DRD2DRD4DRD3LMNASMN1; SMN2
SCHEMBL2222962 0.86 DRD2 (0.48) S1PR5DRD2DRD4DRD3LMNA
SCHEMBL2223718 0.86 DRD2 (0.50) DRD2DRD4DRD3LMNASMN1; SMN2

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
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 S1PR1 706/4885S1PR5 491/4885DRD2 2023/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 S1PR1 534/4885S1PR5 331/4885DRD2 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.