SCHEMBL5452585

SCHEMBL5452585

COc1cccc2c1CN(C(=O)S)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.50
DRD2 P14416 2/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
HSP90B1 P14625 1/20 0.46
TRAP1 Q12931 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOTUM Q6P988 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44

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
SCHEMBL30641865 0.87 DRD2 (0.51) ABHD6DRD2DRD1DRD5DRD3
SCHEMBL14067047 0.87 NOTUM (0.58) ABHD6DRD2DRD1DRD5DRD3
SCHEMBL5458119 0.82 MTNR1A (0.50) ABHD6DRD2DRD1DRD5DRD3
SCHEMBL14287594 0.81 ABHD6 (0.55) ABHD6DRD2DRD1DRD5DRD3
SCHEMBL5452590 0.81 DRD2 (0.51) ABHD6DRD2DRD1DRD5DRD3
SCHEMBL20460387 0.79 DRD2 (0.47) ABHD6DRD2DRD1DRD5DRD3
SCHEMBL20460315 0.78 ALDH1A1 (0.55) ABHD6DRD2NPC1RAB9ANOTUM
SCHEMBL14067213 0.77 PDE4D (0.59) DRD2DRD1DRD5DRD3
SCHEMBL20460377 0.76 ALDH1A1 (0.53) DRD2NPC1HDAC1HDAC6ALOX15
SCHEMBL20460346 0.76 ALDH1A1 (0.43) ABHD6DRD2DRD1DRD5DRD3

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 ABHD6 4571/4885DRD2 1065/4885DRD1 1296/4885

“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.