SCHEMBL5452590

SCHEMBL5452590

COc1cccc2c1CN(C(O)=S)CC2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABHD6 Q9BV23 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TAAR1 Q96RJ0 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 0.85 DRD2 (0.51) DRD2DRD1DRD5DRD3KMT2A
SCHEMBL14067047 0.82 NOTUM (0.58) DRD2DRD1DRD5DRD3ABHD6
SCHEMBL5452585 0.81 ABHD6 (0.50) DRD2DRD1DRD5DRD3ABHD6
SCHEMBL5458527 0.80 KMT2A (0.48) DRD2DRD1DRD5DRD3MAPT
SCHEMBL5458119 0.78 MTNR1A (0.50) DRD2DRD1DRD5DRD3KMT2A
SCHEMBL14287594 0.77 ABHD6 (0.55) DRD2DRD1DRD5DRD3MAPT
SCHEMBL20460315 0.77 ALDH1A1 (0.55) DRD2MAPTKMT2AMEN1CYP1A2
SCHEMBL5568684 0.76 DRD1 (0.77) DRD2DRD1DRD5DRD3
SCHEMBL24317348 0.75 DRD2 (0.56) DRD2DRD1DRD5DRD3MAPT
SCHEMBL20460387 0.75 DRD2 (0.47) DRD2DRD1DRD5DRD3KMT2A

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.