SCHEMBL50525

SCHEMBL50525

CCCN1CCC2Cc3c(ccc(OC)c3OC)CC21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.72
DRD2 P14416 8/20 0.72
DRD1 P21728 1/20 0.52

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
SCHEMBL15382582 1.00 HTR1A (0.72) HTR1ADRD2DRD1
SCHEMBL15382581 1.00 HTR1A (0.72) HTR1ADRD2DRD1
SCHEMBL51129 1.00 HTR1A (0.72) HTR1ADRD2DRD1
SCHEMBL51088 0.84 HTR1A (0.50) HTR1ADRD2DRD1
SCHEMBL13851908 0.84 HTR1A (0.50) HTR1ADRD2DRD1
SCHEMBL15382601 0.84 HTR1A (0.50) HTR1ADRD2DRD1
SCHEMBL50627 0.84 HTR1A (0.50) HTR1ADRD2DRD1
SCHEMBL15382577 0.84 HTR1A (0.50) HTR1ADRD2DRD1
SCHEMBL7499477 0.84 HTR1A (1.00) HTR1ADRD2
SCHEMBL8900432 0.84 HTR1A (1.00) HTR1ADRD2

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
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-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US disclosed
EP-2197883-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. Lundbeck A/S (DK) 2010-06-23 EP disclosed
EP-2195291-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. Lundbeck A/S (DK) 2010-06-16 EP disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
WO-2009026935-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 WO 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 (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-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 HTR1A 210/4885DRD2 184/4885DRD1 467/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 HTR1A 210/4885DRD2 184/4885DRD1 467/4885

“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.