SCHEMBL5455428

SCHEMBL5455428

COc1cccc2c1CN(CCC(=O)N1c3ccccc3Oc3ccccc31)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 2/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
DRD4 P21917 1/20 0.44
HTR1A P08908 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NR1I3 Q14994 1/20 0.42
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 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
SCHEMBL5445274 0.90 DRD2 (0.44) DRD2DRD4HDAC1HDAC6ALDH1A1
SCHEMBL5446642 0.85 DRD2 (0.41) DRD2DRD3DRD1DRD5HDAC1
SCHEMBL5458663 0.82 P2RX4 (0.44) DRD2DRD4ALDH1A1
SCHEMBL5454599 0.81 ALDH1A1 (0.46) DRD2DRD4HDAC1HDAC6ALDH1A1
SCHEMBL5453456 0.81 DRD2 (0.40) DRD2DRD3DRD1DRD5DRD4
SCHEMBL5451078 0.79 TP53 (0.54) DRD2HDAC1HDAC6ALDH1A1HTT
SCHEMBL5448632 0.78 TP53 (0.40) ALDH1A1KMT2A
SCHEMBL5453715 0.77 GABRA1 (0.50) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL5458572 0.76 ALDH1A1 (0.54) DRD2ALDH1A1LMNAMAPTKMT2A
SCHEMBL5461488 0.75 MAPT (0.53) DRD2DRD4ALDH1A1LMNAMAPT

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 1065/4885DRD3 1782/4885DRD1 1296/4885

“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.