SCHEMBL50762

SCHEMBL50762

COc1ccc2c(c1OC)C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
NPC1 O15118 1/20 0.39
PDE4B Q07343 2/20 0.38
UCHL1 P09936 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
DRD2 P14416 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PARP1 P09874 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL51067 1.00 HSD11B1 (0.39) HSD11B1NPC1PDE4BUCHL1NR1H2
SCHEMBL21255627 1.00 HSD11B1 (0.39) HSD11B1NPC1PDE4BUCHL1NR1H2
SCHEMBL50764 1.00 HSD11B1 (0.39) HSD11B1NPC1PDE4BUCHL1NR1H2
SCHEMBL50763 1.00 HSD11B1 (0.39) HSD11B1NPC1PDE4BUCHL1NR1H2
SCHEMBL15382598 1.00 HSD11B1 (0.39) HSD11B1NPC1PDE4BUCHL1NR1H2
SCHEMBL7901664 0.90 DRD2 (0.39) HSD11B1DRD2PARP1HTR1ADRD1
SCHEMBL8057860 0.89 LMNA (0.44) HSD11B1NPC1UCHL1NR1H2NR1H3
SCHEMBL8068216 0.89 LMNA (0.44) HSD11B1NPC1UCHL1NR1H2NR1H3
SCHEMBL10034503 0.89 LMNA (0.44) HSD11B1NPC1UCHL1NR1H2NR1H3
SCHEMBL7901592 0.87 HSD11B1 (0.41) HSD11B1DRD2PARP1HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed
EP-2400967-B1 TREATMENT OF DYSKINESIA RELATED DISORDERS H LUNDBECK AS (DK) 2019-08-14 EP disclosed
EP-3009437-A1 A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2016-04-20 EP disclosed
EP-2197883-B1 Catecholamine derivative useful for the treatment of parkinson's disease LUNDBECK & CO AS H (DK) 2015-11-18 EP disclosed
EP-2662358-A1 Catecholamine derivatives and prodrugs thereof H. Lundbeck A/S (DK) 2013-11-13 EP disclosed
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. LUNDBECK A/S (DK) 2012-05-03 US disclosed
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. LUNDBECK A/S (DK) 2012-05-03 US disclosed
US-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF H. LUNDBECK A/S (DK) 2012-03-29 US disclosed
US-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF H. LUNDBECK A/S (DK) 2012-03-29 US disclosed
US-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US disclosed
US-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US disclosed
US-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 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 (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-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, SNCA, OPRD1 HSD11B1 383/4885NPC1 425/4885PDE4B 776/4885
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 HSD11B1 129/4885NPC1 750/4885PDE4B 81/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 HSD11B1 129/4885NPC1 750/4885PDE4B 81/4885
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS PARK7, ACHE, SNCA HSD11B1 1979/4885NPC1 2122/4885PDE4B 85/4885

“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.