SCHEMBL5899233

SCHEMBL5899233

O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccs1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.72
DRD2 P14416 15/20 0.72
DRD4 P21917 9/20 0.72
ADRA1D P25100 5/20 0.72
ADRA1A P35348 5/20 0.72
ADRA1B P35368 5/20 0.72
HTR1A P08908 4/20 0.72
DRD1 P21728 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
HTR2B P41595 1/20 0.69
SLC6A2 P23975 1/20 0.65
SLC6A4 P31645 1/20 0.65
FAAH O00519 1/20 0.64
CNR1 P21554 1/20 0.64

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
SCHEMBL19580027 0.82 DRD3 (0.79) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL30298994 0.82 DRD3 (1.00) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL9650843 0.81 ADRA1D (1.00) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL14761145 0.81 ADRA1D (0.59) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL3408334 0.80 DRD3 (0.77) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL19580065 0.79 DRD3 (0.73) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL30298993 0.78 DRD3 (1.00) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL7344083 0.78 DRD3 (1.00) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL7057990 0.78 DRD3 (0.78) DRD3DRD2DRD4ADRA1DADRA1A
SCHEMBL7058544 0.78 DRD3 (0.84) DRD3DRD2DRD4ADRA1DADRA1A

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
US-8785447-B2 Use of dopamine D3 receptor ligands for the production of drugs for treating renal function disorders AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-22 US claimed
US-20060223793-A1 USE OF DOPAMINE D3 RECEPTOR LIGANDS FOR THE PRODUCTION OF DRUGS FOR TREATING RENAL FUNCTION DISORDERS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-10-05 US claimed
US-7098214-B1 Dopamine D3 receptor ligands or antagonists for use in the treatment of renal function disorders ABBOTT GMBH & CO. KG (DE) 2006-08-29 US claimed
US-8785447-B2 Use of dopamine D3 receptor ligands for the production of drugs for treating renal function disorders AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-22 US disclosed
US-20060223793-A1 USE OF DOPAMINE D3 RECEPTOR LIGANDS FOR THE PRODUCTION OF DRUGS FOR TREATING RENAL FUNCTION DISORDERS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-10-05 US disclosed
US-7098214-B1 Dopamine D3 receptor ligands or antagonists for use in the treatment of renal function disorders ABBOTT GMBH & CO. KG (DE) 2006-08-29 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-20060223793-A1 USE OF DOPAMINE D3 RECEPTOR LIGANDS FOR THE PRODUCTION OF DRUGS FOR TREATING RENAL FUNCTION DISORDERS SLC6A3, DRD3, DRD2 DRD3 2/4885DRD2 3/4885DRD4 15/4885

“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.