SCHEMBL5445274

SCHEMBL5445274

COc1cccc2c1CN(CC(=O)N1c3ccccc3Oc3ccccc31)CC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.42
DRD4 P21917 1/20 0.42
P2RX4 Q99571 1/20 0.41

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
SCHEMBL5458663 0.90 P2RX4 (0.44) DRD2ALDH1A1TP53DRD4P2RX4
SCHEMBL5455428 0.90 DRD2 (0.47) DRD2ALDH1A1HDAC1HDAC6KMT2A
SCHEMBL5451078 0.89 TP53 (0.54) DRD2ALDH1A1HDAC1HDAC6KMT2A
SCHEMBL5454599 0.89 ALDH1A1 (0.46) DRD2ALDH1A1HDAC1HDAC6KMT2A
SCHEMBL5453456 0.88 DRD2 (0.40) DRD2ALDH1A1HDAC1HDAC6KMT2A
SCHEMBL5448632 0.88 TP53 (0.40) ALDH1A1KMT2ATP53P2RX4
SCHEMBL5458572 0.85 ALDH1A1 (0.54) DRD2ALDH1A1KMT2ATP53
SCHEMBL5459349 0.85 TP53 (0.43) DRD2ALDH1A1KMT2ATP53P2RX4
SCHEMBL5460400 0.84 ALDH1A1 (0.43) ALDH1A1KMT2ATP53P2RX4
SCHEMBL5461488 0.83 MAPT (0.53) DRD2ALDH1A1KMT2ATP53DRD4

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 DRD2 1065/4885ALDH1A1 489/4885HDAC1 412/4885

“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.