SCHEMBL1546428

SCHEMBL1546428

CCCN1CCCC(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.50
DRD3 P35462 7/20 0.50
KCNH2 Q12809 3/20 0.50
DRD1 P21728 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 2/20 0.47
SLC2A1 P11166 1/20 0.46

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
SCHEMBL5574178 0.94 DRD2 (0.52) DRD2DRD3KCNH2DRD1DRD4
SCHEMBL1545866 0.94 DRD2 (0.52) DRD2DRD3KCNH2DRD1DRD4
SCHEMBL1545864 0.94 DRD2 (0.52) DRD2DRD3KCNH2DRD1DRD4
Hydrochloric Acid SCHEMBL1546697 0.93 DRD2 (0.51) DRD2DRD3KCNH2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1545749 0.93 DRD2 (0.51) DRD2DRD3KCNH2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1545751 0.93 DRD2 (0.51) DRD2DRD3KCNH2ALDH1A1LMNA
SCHEMBL1546424 0.90 DRD2 (0.56) DRD2DRD3KCNH2ALDH1A1LMNA
SCHEMBL1561499 0.88 DRD3 (0.59) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5574902 0.86 ALDH1A1 (0.45) DRD2DRD3KCNH2DRD1DRD4
SCHEMBL5574905 0.86 ALDH1A1 (0.45) DRD2DRD3KCNH2DRD1DRD4

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 1/4885KCNH2 522/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 DRD2 13/4885DRD3 1/4885KCNH2 606/4885

“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.