SCHEMBL5445360

SCHEMBL5445360

COc1cccc2c1CN(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
S1PR5 Q9H228 3/20 0.47
DRD3 P35462 2/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL5446347 0.89 DRD2 (0.48) DRD2HDAC1HDAC6S1PR5PRMT5
SCHEMBL5461175 0.80 MEN1 (0.46) DRD2HDAC1HDAC6PRMT5WDR77
SCHEMBL5451181 0.80 MEN1 (0.50) S1PR5PRMT5WDR77MAPTKMT2A
SCHEMBL8496974 0.80 KCNH2 (0.54) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL5451862 0.76 DRD2 (0.49) DRD2HDAC1HDAC6DRD3DRD1
SCHEMBL5753631 0.76 DRD2 (0.53) DRD2HDAC1HDAC6S1PR5DRD3
SCHEMBL5466197 0.74 MTNR1A (0.50) DRD2HDAC1HDAC6DRD3DRD1
SCHEMBL5453386 0.73 MEN1 (0.44) DRD2S1PR5DRD3DRD1DRD5
SCHEMBL3247682 0.73 DRD2 (0.51) DRD2HDAC1HDAC6DRD3DRD1
SCHEMBL5455428 0.73 DRD2 (0.47) DRD2HDAC1HDAC6DRD3DRD1

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 1065/4885HDAC1 412/4885HDAC6 662/4885

“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.