SCHEMBL5453386

SCHEMBL5453386

O=C(CN1CCc2cccc(O)c2C1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
S1PR5 Q9H228 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
PNMT P11086 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
SCHEMBL5453618 0.87 ALDH1A1 (0.44) MEN1MAPTKMT2AL3MBTL1POLB
SCHEMBL5461318 0.85 MEN1 (0.55) MEN1MAPTKMT2AL3MBTL1POLB
SCHEMBL5446347 0.84 DRD2 (0.48) MEN1MAPTKMT2AL3MBTL1S1PR5
SCHEMBL5451181 0.83 MEN1 (0.50) MEN1MAPTKMT2AL3MBTL1S1PR5
SCHEMBL5467799 0.83 CACNA2D1 (0.47) MEN1MAPTKMT2AL3MBTL1POLB
SCHEMBL5750755 0.81 DRD1 (0.44) MEN1MAPTKMT2AL3MBTL1POLB
SCHEMBL5460735 0.79 CACNA2D1 (0.44) MEN1MAPTKMT2AL3MBTL1TSHR
SCHEMBL5453805 0.78 DRD2 (0.44) DRD2DRD1DRD5DRD3PNMT
SCHEMBL5451932 0.77 DRD1 (0.43) MEN1KMT2AL3MBTL1DRD2DRD1
SCHEMBL8506825 0.76 SIGMAR1 (0.50) DRD2DRD1DRD5DRD3PNMT

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 MEN1 2444/4885MAPT 2361/4885KMT2A 2911/4885

“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.