SCHEMBL4198378

SCHEMBL4198378

CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
DRD3 P35462 6/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
PGR P06401 1/20 0.46
BRD4 O60885 1/20 0.45
HSD17B2 P37059 1/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 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
SCHEMBL4198379 1.00 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4195809 0.92 PGR (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4194699 0.88 PGR (0.52) DRD2DRD3SIGMAR1PGRHTR1A
SCHEMBL4194704 0.88 PGR (0.52) DRD2DRD3SIGMAR1PGRHTR1A
SCHEMBL1546821 0.87 ALDH1A1 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1546929 0.87 ALDH1A1 (0.47) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL1546766 0.86 ALDH1A1 (0.46) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL1546768 0.86 ALDH1A1 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1546115 0.85 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4190597 0.85 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A DRD2 116/4885DRD3 228/4885DRD1 218/4885

“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.