SCHEMBL5454423

SCHEMBL5454423

COc1cccc2c1CN(CC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 3/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CARM1 Q86X55 1/20 0.45

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
SCHEMBL5449773 0.80 PRMT5 (0.49) DRD2PRMT5WDR77HDAC1HDAC6
SCHEMBL5455348 0.80 LMNA (0.46) DRD2DRD1DRD5DRD3PRMT5
SCHEMBL8496974 0.79 KCNH2 (0.54) DRD2DRD1DRD5DRD3
SCHEMBL5447851 0.79 ALDH1A1 (0.54) DRD2HDAC1HDAC6
SCHEMBL5445261 0.78 NPC1 (0.57) DRD2
SCHEMBL5451891 0.78 MTNR1A (0.48) DRD2PRMT5WDR77HDAC1HDAC6
SCHEMBL5454487 0.77 HTR5A (0.50) DRD2DRD3
SCHEMBL5753631 0.77 DRD2 (0.53) DRD2DRD1DRD5DRD3HDAC1
SCHEMBL5456113 0.77 DRD2 (0.44) DRD2DRD1DRD5DRD3PRMT5
SCHEMBL1132759 0.77 DRD2 (0.54) DRD2DRD1DRD5DRD3HDAC1

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 1065/4885DRD1 1296/4885DRD5 2136/4885

“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.