SCHEMBL5451934

SCHEMBL5451934

NCCN1CCc2cccc(O)c2C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.56
DRD1 P21728 2/20 0.49
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
DRD5 P21918 1/20 0.49
HTR7 P34969 3/20 0.47
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47
BCL2L1 Q07817 1/20 0.43
BAD Q92934 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
SCHEMBL8506825 0.81 SIGMAR1 (0.50) PNMTDRD1DRD3DRD2DRD5
SCHEMBL5451932 0.79 DRD1 (0.43) DRD1DRD3DRD2DRD5BCL2L1
SCHEMBL1132759 0.78 DRD2 (0.54) PNMTDRD1DRD3DRD2DRD5
SCHEMBL5750755 0.77 DRD1 (0.44) DRD1DRD3DRD2DRD5BCL2L1
SCHEMBL29760081 0.76 KDM4E (0.58) PNMTDRD3DRD2HTR7HTR1A
SCHEMBL335190 0.76 KDM4E (0.58) PNMTDRD3DRD2HTR7HTR1A
SCHEMBL5453805 0.76 DRD2 (0.44) PNMTDRD1DRD3DRD2DRD5
SCHEMBL21195968 0.75 DRD2 (0.75) DRD1DRD3DRD2DRD5BCL2L1
SCHEMBL30391211 0.75 DRD2 (0.75) DRD1DRD3DRD2DRD5BCL2L1
Hydrochloric Acid SCHEMBL7220026 0.75 KDM4E (0.57) DRD3DRD2HTR7HTR1AHTR2A

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 PNMT 429/4885DRD1 1296/4885DRD3 1782/4885

“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.