SCHEMBL4100163

SCHEMBL4100163

CCCN(C(=O)OC(C)(C)C)C1CCc2cc(Br)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.45
DRD2 P14416 14/20 0.45
MCHR1 Q99705 1/20 0.42
DRD4 P21917 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR1A P08908 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP2D6 P10635 1/20 0.41
CASP1 P29466 1/20 0.41
FYN P06241 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4100155 1.00 DRD3 (0.45) DRD3DRD2MCHR1DRD4MEN1
SCHEMBL4110551 1.00 DRD3 (0.45) DRD3DRD2MCHR1DRD4MEN1
SCHEMBL1545190 0.91 ADRA2A (0.37) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL1545283 0.91 ADRA2A (0.37) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL1545188 0.91 ADRA2A (0.37) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4101573 0.87 DRD3 (0.45) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4101579 0.87 DRD3 (0.45) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4107127 0.87 DRD3 (0.45) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4105102 0.85 MCHR1 (0.39) DRD3DRD2MCHR1MEN1KMT2A
SCHEMBL4117256 0.85 MCHR1 (0.39) DRD3DRD2MCHR1MEN1KMT2A

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 22/4885MCHR1 176/4885

“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.