SCHEMBL19479118

SCHEMBL19479118

COc1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.70
DRD2 P14416 7/20 0.67
KCNA5 P22460 3/20 0.61
HRH2 P25021 2/20 0.60
HRH1 P35367 2/20 0.60
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL14453585 0.90 KCNA5 (0.62) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL20423457 0.90 DRD3 (0.55) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL1730771 0.89 HRH2 (0.58) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL6034847 0.89 HRH2 (0.61) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL14453658 0.89 DRD3 (0.54) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL23301374 0.89 DRD3 (0.54) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL18135536 0.88 KCNA5 (0.64) DRD3DRD2KCNA5ALDH1A1
SCHEMBL25747712 0.88 GPR4 (0.56) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL31319939 0.87 MAOB (0.56) DRD3DRD2KCNA5HRH2HRH1
SCHEMBL29716350 0.86 LTA4H (0.56) DRD3DRD2KCNA5HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145922-B2 Selective D3 dopamine receptor agonists and methods of their use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-11-19 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-11634404-B2 Selective D3 dopamine receptor agonists and methods of their use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-04-25 US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 US disclosed
EP-3442955-B1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE US HEALTH (US) 2021-09-29 EP disclosed
WO-2017181004-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-19 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 (4 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-12145922-B2 Selective D3 dopamine receptor agonists and methods of their use SLC6A3, DRD3, DRD2 DRD3 2/4885DRD2 3/4885KCNA5 1791/4885
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 DRD3 2/4885DRD2 4/4885KCNA5 1509/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 DRD3 2/4885DRD2 3/4885KCNA5 1791/4885
US-11634404-B2 Selective D3 dopamine receptor agonists and methods of their use SLC6A3, DRD3, CHRM2 DRD3 2/4885DRD2 4/4885KCNA5 1509/4885

“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.