SCHEMBL2224077

SCHEMBL2224077

CC(C)OC(=O)c1cccnc1N(C)[C@@H]1CCN(Cc2ccccc2-c2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
LMNA P02545 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
GMNN O75496 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
PMP22 Q01453 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 3/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
TACR1 P25103 2/20 0.40
HTR2A P28223 2/20 0.40
DRD1 P21728 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GRM2 Q14416 1/20 0.38
MLNR O43193 4/20 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
SCHEMBL2226949 0.94 DRD2 (0.47) DRD2LMNADRD4DRD3GMNN
SCHEMBL2223067 0.88 ALDH1A1 (0.44) DRD2LMNADRD4DRD3GMNN
SCHEMBL14632877 0.87 CD274 (0.45) DRD2LMNADRD4DRD3GMNN
SCHEMBL2224761 0.86 ALDH1A1 (0.47) DRD2LMNADRD4DRD3GMNN
SCHEMBL2222878 0.86 DRD2 (0.52) DRD2LMNADRD4DRD3GMNN
SCHEMBL12517227 0.85 DRD2 (0.47) DRD2LMNADRD4DRD3GMNN
SCHEMBL2222950 0.85 DRD2 (0.47) DRD2LMNADRD4DRD3GMNN
SCHEMBL2222943 0.85 DRD2 (0.47) DRD2LMNADRD4DRD3GMNN
SCHEMBL2227127 0.85 DRD2 (0.47) DRD2LMNADRD4DRD3GMNN
SCHEMBL2223053 0.83 DRD2 (0.54) DRD2LMNADRD4DRD3GMNN

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 11 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

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