SCHEMBL4100215

SCHEMBL4100215

CCCN[C@H]1CCc2cc(N)ccc2C1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.70
HTR1B P28222 3/20 0.70
DRD2 P14416 11/20 0.62
DRD3 P35462 10/20 0.62
DRD4 P21917 4/20 0.62
GRIN2B Q13224 2/20 0.51
HTR1A P08908 3/20 0.47
HRH2 P25021 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL4106723 1.00 HTR1D (0.70) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL9776820 0.94 DRD2 (0.70) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL6561200 0.88 DRD2 (0.52) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8885776 0.82 HTR1D (1.00) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL9776900 0.82 DRD3 (0.54) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL607070 0.80 DRD2 (0.90) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL15190320 0.80 HTR1D (0.62) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8393323 0.80 GRIN2B (0.67) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL2597220 0.80 GRIN2B (0.67) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL29588340 0.80 GRIN2B (0.67) HTR1DHTR1BDRD2DRD3DRD4

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 8 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 claimed
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 claimed
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 247/4885HTR1B 313/4885DRD2 22/4885

“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.