SCHEMBL5458468

SCHEMBL5458468

COc1cccc2c1CN(CCNC(=S)NC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
ACACB O00763 1/20 0.42
DRD4 P21917 1/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5456113 0.88 DRD2 (0.44) DRD2ACHEPOLBHSD17B10SIGMAR1
SCHEMBL5451785 0.88 POLB (0.52) DRD2POLBHSD17B10SIGMAR1ACACB
SCHEMBL5461241 0.86 SIGMAR1 (0.53) DRD2HSD17B10SIGMAR1DRD4DRD3
SCHEMBL5447851 0.81 ALDH1A1 (0.54) DRD2POLBACACBLMNA
SCHEMBL1132519 0.78 DRD2 (0.53) DRD2POLBHSD17B10DRD1DRD5
SCHEMBL5458473 0.78 DRD2 (0.53) DRD2POLBHSD17B10SIGMAR1ACACB
SCHEMBL5458527 0.78 KMT2A (0.48) DRD2POLBDRD1DRD5DRD3
SCHEMBL5456116 0.77 DRD2 (0.50) DRD2POLBHSD17B10SIGMAR1ACACB
SCHEMBL5466197 0.76 MTNR1A (0.50) DRD2DRD4DRD1DRD5DRD3
SCHEMBL5454423 0.75 DRD2 (0.50) DRD2DRD1DRD5DRD3PRMT5

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 1065/4885ACHE 186/4885POLB 4466/4885

“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.