SCHEMBL1546815

SCHEMBL1546815

CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
DRD3 P35462 4/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.48
CCR5 P51681 1/20 0.45
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
TRIM24 O15164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1546811 1.00 DRD2 (0.51) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL1546874 0.93 ALDH1A1 (0.53) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL1546871 0.93 ALDH1A1 (0.53) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL1546645 0.91 DRD2 (0.58) DRD2DRD3ALDH1A1LMNAMAPT
SCHEMBL1546647 0.91 DRD2 (0.58) DRD2DRD3ALDH1A1LMNAMAPT
SCHEMBL1547100 0.91 LMNA (0.57) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL1547101 0.91 LMNA (0.57) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL5573531 0.91 LMNA (0.60) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL5573533 0.91 LMNA (0.60) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL1546929 0.90 ALDH1A1 (0.47) DRD2DRD3SIGMAR1ALDH1A1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-06-30 US disclosed
EP-2311802-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-2311803-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-1814849-B1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-04-06 EP disclosed
US-7851463-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-12-14 US disclosed
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-02-21 US disclosed
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION 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 (2 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-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR DRD3, CHRNA3, CHRM3 DRD2 17/4885DRD3 1/4885SIGMAR1 141/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 DRD2 13/4885DRD3 1/4885SIGMAR1 150/4885

“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.