SCHEMBL593452

SCHEMBL593452

Cc1cn(CCCCN2CCN(C(=O)C3CCCO3)CC2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL593177 0.82 DRD2 (0.46) TSHRALDH1A1RAB9ADRD2DRD3
SCHEMBL591701 0.76 DRD2 (0.47) TSHRKMT2ADRD2DRD3MAPK1
SCHEMBL592004 0.75 DRD2 (0.46) ALDH1A1KMT2ADRD2DRD3SMN1; SMN2
SCHEMBL593024 0.74 DRD2 (0.50) ALDH1A1DRD2DRD3MAPK1ADRA1D
SCHEMBL591351 0.74 DRD2 (0.48) ALDH1A1DRD2DRD3MAPK1ADRA1D
SCHEMBL13612615 0.74 TSHR (0.56) TSHRPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL592550 0.73 ALDH1A1 (0.60) ALDH1A1KMT2A
SCHEMBL25642079 0.72 POLB (0.51) TSHRPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL12156752 0.71 TSHR (0.59) TSHRPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL13451346 0.71 TSHR (0.53) TSHRPOLBALDH1A1KMT2ASMN1; SMN2

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 TSHR 47/4885POLB 3955/4885ALDH1A1 1066/4885

“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.