SCHEMBL4101018

SCHEMBL4101018

CCCNC1COc2cc(O)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.59
DRD3 P35462 4/20 0.59
DRD4 P21917 2/20 0.59
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
TTR P02766 1/20 0.50
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL4100144 0.81 DRD2 (0.61) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL5238082 0.81 DRD2 (0.42) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL5239331 0.80 SIGMAR1 (0.49) DRD2DRD3DRD4ESR2
SCHEMBL5239324 0.80 SIGMAR1 (0.49) DRD2DRD3DRD4ESR2
SCHEMBL8390072 0.80 SIGMAR1 (0.49) DRD2DRD3DRD4ESR2
SCHEMBL8692261 0.79 DRD2 (0.78) DRD2DRD3DRD4OPRM1OPRK1
Hydrochloric Acid SCHEMBL5760880 0.78 SIGMAR1 (0.48) DRD2DRD3DRD4ESR2
SCHEMBL19194517 0.78 ESR1 (0.56) DRD2DRD3DRD4ESR1ESR2
Bromide SCHEMBL8693876 0.78 DRD2 (0.76) DRD2DRD3DRD4OPRM1OPRK1
SCHEMBL6932136 0.78 SIGMAR1 (0.42) DRD2DRD3DRD4ESR2HTR1D

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 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-1819690-A2 CHROMAN COMPOUNDS Pfizer Limited (GB) 2007-08-22 EP 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-2006056850-A2 CHROMAN COMPOUNDS PFIZER LIMITED (GB) 2006-06-01 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 DRD2 22/4885DRD3 5/4885DRD4 58/4885

“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.