SCHEMBL1546446

SCHEMBL1546446

O=S(=O)(Nc1ccc(C2CCNC2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60
KCNH2 Q12809 1/20 0.60
HDAC1 Q13547 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HTR6 P50406 2/20 0.48
TP53 P04637 3/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL1546444 1.00 DRD2 (0.60) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL1546167 0.87 DRD2 (0.51) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL25307338 0.83 HTR3A (0.54)
SCHEMBL1546048 0.82 DRD2 (0.50) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL1546817 0.78 SMN1; SMN2 (0.52) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL1546820 0.78 SMN1; SMN2 (0.52) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL1546404 0.78 DRD2 (0.57) DRD2DRD3KCNH2HTR6TP53
SCHEMBL1546403 0.78 DRD2 (0.57) DRD2DRD3KCNH2HTR6TP53
SCHEMBL4196269 0.78 BRAF (0.50) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL4190426 0.78 BRAF (0.50) DRD2DRD3KCNH2HDAC1HDAC8

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.