SCHEMBL4112169

SCHEMBL4112169

CCCN(C(=O)OC(C)(C)C)C1CCc2cc(NS(=O)(=O)c3ccc(OC(F)F)cc3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.40
DRD2 P14416 5/20 0.40
ALDH1A1 P00352 1/20 0.39
OGG1 O15527 1/20 0.38
MLNR O43193 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR6 P50406 1/20 0.37
GHSR Q92847 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MGAT2 Q10469 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
SCHEMBL4112163 1.00 DRD3 (0.40) DRD3DRD2ALDH1A1OGG1MLNR
SCHEMBL4112298 0.89 DRD3 (0.39) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4112289 0.89 DRD3 (0.39) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4112293 0.89 DRD3 (0.39) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4106763 0.88 TGFBR1 (0.39) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4106760 0.88 TGFBR1 (0.39) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4112615 0.88 DRD3 (0.40) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4112620 0.88 DRD3 (0.40) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4112936 0.88 DRD3 (0.40) DRD3DRD2ALDH1A1MLNRCYP2D6
SCHEMBL4101006 0.87 DRD3 (0.47) DRD3DRD2ALDH1A1

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 22/4885ALDH1A1 1085/4885

“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.