SCHEMBL5446347

SCHEMBL5446347

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
S1PR5 Q9H228 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTR1A P08908 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5451181 0.90 MEN1 (0.50) PRMT5WDR77S1PR5KMT2AMEN1
SCHEMBL5445360 0.89 DRD2 (0.51) DRD2HDAC1HDAC6PRMT5WDR77
SCHEMBL5461175 0.89 MEN1 (0.46) DRD2HDAC1HDAC6PRMT5WDR77
SCHEMBL5451862 0.84 DRD2 (0.49) DRD2HDAC1HDAC6ALDH1A1LMNA
SCHEMBL5453386 0.84 MEN1 (0.44) DRD2S1PR5KMT2AMEN1MAPT
SCHEMBL5753631 0.82 DRD2 (0.53) DRD2HDAC1HDAC6KDM4ES1PR5
SCHEMBL5461318 0.81 MEN1 (0.55) DRD2PRMT5WDR77KDM4EALDH1A1
SCHEMBL5449772 0.81 DRD2 (0.52) DRD2HDAC1HDAC6PRMT5WDR77
SCHEMBL5466340 0.80 KCNH2 (0.51) HDAC1HDAC6KDM4EALDH1A1LMNA
SCHEMBL5453790 0.80 DRD2 (0.46) DRD2HDAC1HDAC6ALDH1A1LMNA

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.