SCHEMBL592004

SCHEMBL592004

Cc1cn(CCCCN2CCN(CC(=O)N3CCCCC3)CC2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
TYMP P19971 1/20 0.44
TK1 P04183 1/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TK2 O00142 7/20 0.42
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL591701 0.99 DRD2 (0.47) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593024 0.77 DRD2 (0.50) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL591351 0.77 DRD2 (0.48) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL592543 0.75 ADRA1D (0.52) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL593452 0.75 TSHR (0.53) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL591722 0.74 HPGD (0.52) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2349762 0.74 ADRA1D (0.56) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL592550 0.73 ALDH1A1 (0.60) KMT2AMAPTALDH1A1MEN1TDP1
SCHEMBL2352931 0.73 DRD2 (0.56) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2349488 0.73 ADRA1D (0.58) DRD2DRD3ADRA1DADRA1AADRA1B

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 DRD2 5/4885DRD3 2/4885ADRA1D 52/4885

“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.