SCHEMBL5467799

SCHEMBL5467799

O=C(CN1CCc2cccc(O)c2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.47
CACNA1B Q00975 5/20 0.47
CACNB1 Q02641 5/20 0.47
CACNA1C Q13936 5/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL5460735 0.95 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5449575 0.86 DRD2 (0.42) ALDH1A1DRD2DRD3MAPTL3MBTL1
SCHEMBL5453618 0.85 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL5456255 0.84 RAB9A (0.47) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL4228563 0.84 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5451862 0.83 DRD2 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5453386 0.83 MEN1 (0.44) DRD2DRD1DRD5DRD3MEN1
SCHEMBL5750755 0.83 DRD1 (0.44) ALDH1A1DRD2DRD1DRD5DRD3
SCHEMBL5453790 0.81 DRD2 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5451932 0.79 DRD1 (0.43) DRD2DRD1DRD5DRD3MEN1

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 CACNA2D1 105/4885CACNA1B 4/4885CACNB1 23/4885

“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.