SCHEMBL593045

SCHEMBL593045

Cc1cn(CCCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HPGD P15428 1/20 0.46
CACNA1G O43497 3/20 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
SCHEMBL591722 0.89 HPGD (0.52) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593874 0.88 DRD2 (0.49) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL591973 0.85 ADRA1D (0.53) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593713 0.85 HPGD (0.65) ADRA1DADRA1AADRA1BHPGD
SCHEMBL592220 0.84 HPGD (0.48) SIGMAR1ADRA1DADRA1AADRA1BHPGD
SCHEMBL593213 0.84 ADRA1D (0.50) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593080 0.83 DRD2 (0.52) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593377 0.83 KDM4E (0.53) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593818 0.83 TK2 (0.53) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593275 0.83 SIGMAR1 (0.49) SIGMAR1DRD2DRD3ADRA1DADRA1A

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 4 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

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 SIGMAR1 185/4885DRD2 5/4885DRD3 2/4885

“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.