SCHEMBL5449772

SCHEMBL5449772

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ACACB O00763 2/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
ADRA1B P35368 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
SCHEMBL5451862 0.83 DRD2 (0.49) DRD2HDAC1HDAC6KMT2ADRD1
SCHEMBL5753631 0.83 DRD2 (0.53) DRD2HDAC1HDAC6ACACBKMT2A
SCHEMBL5448576 0.82 DRD2 (0.48) DRD2HDAC1HDAC6KMT2ADRD1
SCHEMBL5461335 0.82 DRD2 (0.52) DRD2HDAC1HDAC6ACACBKMT2A
SCHEMBL5446347 0.81 DRD2 (0.48) DRD2HDAC1HDAC6PRMT5WDR77
SCHEMBL5456320 0.80 DRD2 (0.45) DRD2HDAC1HDAC6ACACBKMT2A
SCHEMBL5453790 0.78 DRD2 (0.46) DRD2HDAC1HDAC6KMT2ADRD1
SCHEMBL5461175 0.78 MEN1 (0.46) DRD2HDAC1HDAC6PRMT5WDR77
SCHEMBL5445261 0.78 NPC1 (0.57) DRD2ACACBKMT2A
SCHEMBL5447851 0.76 ALDH1A1 (0.54) DRD2HDAC1HDAC6ACACBKMT2A

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.