SCHEMBL5458663

SCHEMBL5458663

COc1cccc2c1CN(CC(=O)N1c3ccccc3Oc3ccccc31)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.44
TP53 P04637 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5445274 0.90 DRD2 (0.44) P2RX4TP53DRD2DRD4ALDH1A1
SCHEMBL5456143 0.88 P2RX4 (0.39) P2RX4TP53KDM4E
SCHEMBL5453627 0.84 P2RX4 (0.41) P2RX4TP53ALDH1A1KDM4E
SCHEMBL5453524 0.83 P2RX4 (0.50) P2RX4TP53ALDH1A1KDM4E
SCHEMBL5466277 0.83 P2RX4 (0.43) P2RX4TP53ALDH1A1
SCHEMBL5455428 0.82 DRD2 (0.47) DRD2DRD4ALDH1A1
SCHEMBL5455314 0.81 P2RX4 (0.39) P2RX4TP53ALDH1A1KDM4E
SCHEMBL5448632 0.81 TP53 (0.40) P2RX4TP53ALDH1A1KDM4E
SCHEMBL5453456 0.80 DRD2 (0.40) P2RX4DRD2DRD4ALDH1A1
SCHEMBL5454599 0.79 ALDH1A1 (0.46) TP53DRD2DRD4ALDH1A1KDM4E

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 P2RX4 221/4885TP53 4865/4885DRD2 1065/4885

“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.