SCHEMBL5463370

SCHEMBL5463370

COc1ccc2c(c1)CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)CC2.COc1ccc2c(c1)CN(CCN(Cc1ccccc1)Cc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2B Q13224 3/20 0.44
OPRD1 P41143 1/20 0.44
LMNA P02545 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
OPRK1 P41145 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
SCHEMBL5466340 0.92 KCNH2 (0.51) KCNH2KDM4EALDH1A1GRIN1GRIN2B
SCHEMBL5456360 0.89 KCNH2 (0.54) KCNH2KDM4EHTR1ADRD2DRD3
SCHEMBL5459367 0.82 SIGMAR1 (0.53) KCNH2KDM4EALDH1A1OPRD1LMNA
SCHEMBL5461318 0.77 MEN1 (0.55) KDM4EALDH1A1POLBMAPTHTR1A
SCHEMBL5446347 0.76 DRD2 (0.48) KDM4EALDH1A1MAPTGRIN1GRIN2B
SCHEMBL5456129 0.73 HRH3 (0.53) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL5446508 0.71 MTNR1B (0.53) KDM4EALDH1A1POLBOPRD1LMNA
SCHEMBL5445360 0.71 DRD2 (0.51) ALDH1A1MAPTLMNAHTR1ADRD2
SCHEMBL7743687 0.71 ABCB1 (0.62) KCNH2GRIN1GRIN2BOPRD1HTR1A
SCHEMBL7799385 0.70 ITGB3 (0.58) DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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 (1 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A KCNH2 60/4885KDM4E 1446/4885ALDH1A1 489/4885

“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.