SCHEMBL4101028

SCHEMBL4101028

CCCNC1COc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.67
DRD2 P14416 11/20 0.67
HTR1D P28221 6/20 0.67
DRD4 P21917 4/20 0.39
HTR5A P47898 1/20 0.39
HTR1B P28222 1/20 0.38
MTNR1A P48039 1/20 0.38
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35

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
SCHEMBL8689131 0.85 DRD3 (0.80) DRD3DRD2HTR1DDRD4HTR5A
SCHEMBL4100172 0.83 DRD2 (0.48) DRD3DRD2HTR1DMTNR1A
SCHEMBL4100144 0.81 DRD2 (0.61) DRD3DRD2HTR1DDRD4HTR1B
SCHEMBL8691166 0.75 DRD3 (0.65) DRD3DRD2HTR1DDRD4HTR5A
SCHEMBL18872405 0.75 ESR1 (0.49) DRD3DRD2HTR1DDRD4DRD1
SCHEMBL4101018 0.74 DRD2 (0.59) DRD3DRD2HTR1DDRD4HTR1B
SCHEMBL4107728 0.73 DRD2 (0.43) DRD3DRD2HTR1D
SCHEMBL4100168 0.72 HTR1D (0.40) DRD3DRD2HTR1DHTR1B
SCHEMBL5238082 0.71 DRD2 (0.42) DRD3DRD2HTR1DDRD4HTR1B
SCHEMBL6932136 0.71 SIGMAR1 (0.42) DRD3DRD2HTR1DDRD4HTR1B

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 DRD3 5/4885DRD2 22/4885HTR1D 247/4885

“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.