SCHEMBL5453456

SCHEMBL5453456

COc1cccc2c1CN(CC(=O)N1c3ccccc3Oc3cnn(C)c31)CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
KMT2A Q03164 1/20 0.39
DRD4 P21917 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR1A P08908 1/20 0.37
P2RX4 Q99571 1/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36

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 0.88 DRD2 (0.44) DRD2KMT2ADRD4ALDH1A1HDAC1
SCHEMBL5455428 0.81 DRD2 (0.47) DRD2KMT2ADRD4ALDH1A1HDAC1
SCHEMBL5454599 0.80 ALDH1A1 (0.46) DRD2KMT2ADRD4ALDH1A1HDAC1
SCHEMBL5458663 0.80 P2RX4 (0.44) DRD2DRD4ALDH1A1P2RX4
SCHEMBL5451078 0.79 TP53 (0.54) DRD2KMT2AALDH1A1HDAC1HDAC6
SCHEMBL5448632 0.78 TP53 (0.40) KMT2AALDH1A1P2RX4
SCHEMBL5458572 0.75 ALDH1A1 (0.54) DRD2KMT2AALDH1A1
SCHEMBL5461488 0.75 MAPT (0.53) DRD2KMT2ADRD4ALDH1A1
SCHEMBL5459349 0.75 TP53 (0.43) DRD2KMT2AALDH1A1P2RX4DRD1
SCHEMBL5460400 0.74 ALDH1A1 (0.43) KMT2AALDH1A1P2RX4

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 1065/4885KMT2A 2911/4885DRD4 1408/4885

“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.