SCHEMBL592543

SCHEMBL592543

Cc1cn(CCCCN2CCN(CCn3cccc3)CC2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
TK1 P04183 1/20 0.49
TK2 O00142 9/20 0.48
TYMP P19971 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 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
SCHEMBL16207975 0.84 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL593713 0.80 HPGD (0.65) ADRA1DADRA1AADRA1BTK1TK2
SCHEMBL2349488 0.80 ADRA1D (0.58) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL591628 0.79 MAPK1 (0.58) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL2353857 0.79 ADRA1B (0.68) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL2349762 0.79 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL591722 0.79 HPGD (0.52) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL2352931 0.78 DRD2 (0.56) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL592961 0.78 DRD2 (0.51) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL2354965 0.77 ADRA1A (0.66) ADRA1DADRA1AADRA1BDRD2DRD3

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
EP-1828146-B1 SUBSTITUTED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBVIE DEUTSCHLAND (DE) 2014-11-05 EP claimed
EP-1828146-B1 SUBSTITUTED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBVIE DEUTSCHLAND (DE) 2014-11-05 EP disclosed
US-8114875-B2 Substituted N-heterocyclic compounds and their use as dopamine D3 receptor ligands ABBOTT GMBH & CO. KG (DE) 2012-02-14 US disclosed
US-20090054449-A1 Substituted N-heterocyclic Compounds and Their Use as Dopamine D3 Receptor Ligands ABBOTT GMBH & CO. KG (DE) 2009-02-26 US disclosed
EP-1828146-A1 SUBSTITUTED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2007-09-05 EP disclosed
WO-2006066885-A1 SUBSTITUTED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2006-06-29 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-20090054449-A1 Substituted N-heterocyclic Compounds and Their Use as Dopamine D3 Receptor Ligands SLC6A3, DRD3, HTR3A ADRA1D 52/4885ADRA1A 86/4885ADRA1B 166/4885

“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.