SCHEMBL5507601

SCHEMBL5507601

N#Cc1ccc2sc(N(CCCCN3CCN(c4cccc(Cl)c4Cl)CC3)C(N)=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.51
DRD3 P35462 16/20 0.51
DRD4 P21917 13/20 0.51
HTR1A P08908 5/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
HTR2A P28223 5/20 0.48
DRD1 P21728 4/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 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
SCHEMBL5511441 0.94 DRD2 (0.53) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5503595 0.88 DRD2 (0.53) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5502987 0.88 DRD2 (0.62) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5506541 0.85 DRD2 (0.66) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL4950209 0.85 DRD2 (0.46) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4947474 0.85 DRD2 (0.45) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5510364 0.83 DRD2 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4945905 0.83 DRD2 (0.45) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4950367 0.82 DRD2 (0.43) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL4945146 0.82 DRD2 (0.45) DRD2DRD3DRD4HTR1AHTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519726-B1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-02-21 EP claimed
US-20050197343-A1 Utilization of heteroarene carboxamide as dopamine-d3 ligands for the treatment of cns diseases SCHWARZ PHARMA AG (DE) 2005-09-08 US claimed
US-20050197343-A1 Utilization of heteroarene carboxamide as dopamine-d3 ligands for the treatment of cns diseases SCHWARZ PHARMA AG (DE) 2005-09-08 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-20050197343-A1 Utilization of heteroarene carboxamide as dopamine-d3 ligands for the treatment of cns diseases SLC6A3, DRD2, ADH1A DRD2 2/4885DRD3 9/4885DRD4 18/4885

“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.