SCHEMBL4195809

SCHEMBL4195809

CCCN1CC(c2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.50
BRD4 O60885 1/20 0.49
HSD17B2 P37059 1/20 0.49
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
PKM P14618 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
HIF1A Q16665 1/20 0.42
RAB9A P51151 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PIM1 P11309 1/20 0.42
LTK P29376 1/20 0.42

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
SCHEMBL4198378 0.92 DRD2 (0.53) PGRBRD4HSD17B2DRD2DRD3
SCHEMBL4198379 0.92 DRD2 (0.53) PGRBRD4HSD17B2DRD2DRD3
SCHEMBL4206091 0.87 PGR (0.51) PGRDRD2DRD3PKML3MBTL1
SCHEMBL4196430 0.87 KMT2A (0.52) PGRDRD2DRD3DRD1DRD4
SCHEMBL4193927 0.86 PGR (0.57) PGRDRD3PKMHTR1AHTR7
SCHEMBL1546795 0.85 SMN1; SMN2 (0.49) BRD4DRD2DRD3SIGMAR1HTR1A
SCHEMBL4193701 0.83 NR3C1 (0.53) PGRHSD17B2DRD2PTPN2PTPN1
SCHEMBL4194220 0.83 PGR (0.53) PGRBRD4DRD2DRD3PTPN2
SCHEMBL4188497 0.80 HRH3 (0.55) PKML3MBTL1RAB9AMEN1KMT2A
SCHEMBL4197383 0.80 CYP3A4 (0.47) PGRDRD2PKM

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 PGR 492/4885BRD4 2672/4885HSD17B2 359/4885

“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.