SCHEMBL4100168

SCHEMBL4100168

CCCN(C(=O)OC(C)(C)C)C1COc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL4112893 0.82 DRD3 (0.47) DRD2DRD3LTB4RLTB4R2HTR1A
SCHEMBL4107728 0.79 DRD2 (0.43) HTR1DDRD2DRD3
SCHEMBL4101028 0.72 DRD3 (0.67) HTR1DDRD2DRD3HTR1B
SCHEMBL8689209 0.72 DRD3 (0.55) HTR1DDRD2DRD3
SCHEMBL10063747 0.72 DRD3 (0.43) HTR1DDRD2DRD3
SCHEMBL4100172 0.72 DRD2 (0.48) HTR1DDRD2DRD3LTB4RLTB4R2
SCHEMBL5142024 0.70 DRD2 (0.43) HTR1DDRD2DRD3
SCHEMBL6134247 0.69 DRD2 (0.43) HTR1DDRD2DRD3
SCHEMBL6134250 0.69 DRD2 (0.43) HTR1DDRD2DRD3
SCHEMBL6134251 0.69 DRD2 (0.43) HTR1DDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969552-B2 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-03 US disclosed
EP-1812416-B1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-08-21 EP disclosed
US-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-08 US disclosed
EP-1812416-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-01 EP disclosed
WO-2006040178-A9 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2007-04-19 WO disclosed
WO-2006040178-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 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-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ADRB3, SLC6A3, NR3C2 HTR1D 247/4885DRD2 22/4885DRD3 5/4885

“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.