SCHEMBL21029533

SCHEMBL21029533

CCCN(CCC)[C@H]1CCc2c(ccc(OS(=O)(=O)O)c2OS(=O)(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.55
DRD1 P21728 2/20 0.55
DRD3 P35462 8/20 0.53
DRD4 P21917 4/20 0.53
HTR1A P08908 1/20 0.52
DRD5 P21918 1/20 0.52
HTR7 P34969 1/20 0.52
ADRB2 P07550 1/20 0.52
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50

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
SCHEMBL21039946 1.00 DRD2 (0.55) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL24663913 0.95 DRD2 (0.52) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL21039881 0.89 DRD2 (0.65) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL21029534 0.89 DRD2 (0.65) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22694045 0.76 DRD2 (0.54) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22694067 0.76 DRD2 (0.53) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22703548 0.75 DRD2 (0.72) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22694024 0.75 DRD2 (0.52) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22703437 0.72 DRD3 (0.62) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22694040 0.72 DRD3 (0.62) DRD2DRD1DRD3DRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025857-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2024-01-25 US disclosed
US-11110110-B2 Catecholamine prodrugs for use in the treatment of Parkinson's disease H. LUNDBECK A/S (DK) 2021-09-07 US disclosed
US-20200338102-A1 CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2020-10-29 US disclosed
US-10729710-B2 Catecholamine prodrugs for use in the treatment of Parkinson's disease H. LUNDBECK A/S (DK) 2020-08-04 US disclosed
US-20190160083-A1 CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2019-05-30 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 (5 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-20200338102-A1 CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE COMT, SLC6A2, SLC6A3 DRD2 24/4885DRD1 107/4885DRD3 98/4885
US-20240025857-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE SLC6A3, CHRNA4, NPY4R DRD2 21/4885DRD1 33/4885DRD3 54/4885
US-10729710-B2 Catecholamine prodrugs for use in the treatment of Parkinson's disease COMT, SLC6A2, SLC6A3 DRD2 24/4885DRD1 107/4885DRD3 98/4885
US-20190160083-A1 CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE COMT, SLC6A2, SLC6A3 DRD2 24/4885DRD1 107/4885DRD3 98/4885
US-11110110-B2 Catecholamine prodrugs for use in the treatment of Parkinson's disease COMT, SLC6A2, SLC6A3 DRD2 24/4885DRD1 107/4885DRD3 98/4885

“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.