SCHEMBL4608967

SCHEMBL4608967

N#Cc1cccc(N2CCN(CCCCCCCCSc3nnc(N)s3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.54
DRD2 P14416 5/20 0.54
GRIN2B Q13224 2/20 0.47
GRIN2A Q12879 1/20 0.47
KCNH2 Q12809 4/20 0.46
DRD4 P21917 1/20 0.43
C1S P09871 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4607941 0.83 GRIN2B (0.47) GRIN2BGRIN2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL7322276 0.80 KCNH2 (0.56) DRD3DRD2GRIN2BGRIN2AKCNH2
Hydrochloric Acid SCHEMBL7322849 0.80 KCNH2 (0.56) DRD2GRIN2BGRIN2AKCNH2
Hydrochloric Acid SCHEMBL7322321 0.78 KCNH2 (0.58) DRD2GRIN2BGRIN2AKCNH2DRD4
SCHEMBL3187453 0.75 DRD3 (0.74) DRD3DRD2KCNH2DRD4
Hydrochloric Acid SCHEMBL7324295 0.74 GRIN2B (0.63) DRD2GRIN2BGRIN2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL3207069 0.74 DRD3 (0.72) DRD3DRD2KCNH2DRD4
SCHEMBL4608739 0.74 GRIN2B (0.52) DRD3DRD2GRIN2BGRIN2AKCNH2
Hydrochloric Acid SCHEMBL7323720 0.73 HTR1A (0.53) GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL7322789 0.72 GRIN2B (0.53) DRD2GRIN2BGRIN2ADRD4ALDH1A1

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 10 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
EP-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 EP 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
EP-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 EP 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
EP-1176963-B1 USE OF DOPAMINE D 3 RECEPTOR ANTAGONISTS FOR PRODUCING MEDICAMENTS FOR TREATING KIDNEY DISORDERS ABBOTT GMBH & CO KG (DE) 2004-12-15 EP disclosed
US-20030087917-A1 Use of dopamine-d3 receptor ligands for the treatment of diseases of the central nervous system ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-05-08 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 (2 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-20030087917-A1 Use of dopamine-d3 receptor ligands for the treatment of diseases of the central nervous system DRD3, DRD2, OPRD1 DRD3 1/4885DRD2 2/4885GRIN2B 30/4885
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 3/4885GRIN2B 338/4885

“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.