SCHEMBL4608115

SCHEMBL4608115

CC(C)(C)c1cc(N2CCN(CCCSc3nnc(N)s3)CC2)nc(C(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.50
DRD3 P35462 17/20 0.50
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL391664 0.78 DRD2 (0.51) DRD2DRD3
SCHEMBL6179277 0.78 DRD2 (0.51) DRD2DRD3
Hydrochloric Acid SCHEMBL392430 0.77 DRD2 (0.51) DRD2DRD3
Hydrochloric Acid SCHEMBL388277 0.77 DRD2 (0.51) DRD2DRD3
SCHEMBL4391031 0.77 DRD2 (0.49) DRD2DRD3GRIN2B
SCHEMBL16463637 0.76 DRD2 (0.58) DRD2DRD3
SCHEMBL392181 0.76 DRD2 (0.54) DRD2DRD3
SCHEMBL4390731 0.76 GRIN2B (0.47) DRD2DRD3GRIN2B
SCHEMBL4608344 0.75 GRIN2B (0.51) DRD2DRD3GRIN2AGRIN2B
SCHEMBL391907 0.75 DRD2 (0.55) DRD2DRD3

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-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 EP claimed
EP-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 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 (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-20030087917-A1 Use of dopamine-d3 receptor ligands for the treatment of diseases of the central nervous system DRD3, DRD2, OPRD1 DRD2 2/4885DRD3 1/4885GRIN2A 59/4885

“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.