SCHEMBL50824

SCHEMBL50824

CCN1CCC[C@@H]2Cc3c(ccc4c3OCO4)C[C@H]21

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.83
DRD1 P21728 2/20 0.48
MTNR1B P49286 2/20 0.39
MTNR1A P48039 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL242083 1.00 DRD2 (0.83) DRD2DRD1MTNR1BMTNR1AHTR1A
Hydrochloric Acid SCHEMBL49920 0.99 DRD2 (0.81) DRD2DRD1MTNR1BMTNR1A
SCHEMBL10034502 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL22005280 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL51683 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL10034501 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL50393 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL50689 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL50391 0.91 DRD2 (1.00) DRD2DRD1HTR1A
SCHEMBL50392 0.91 DRD2 (1.00) DRD2DRD1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196889-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2012-08-02 US claimed
US-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US claimed
EP-2197883-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. Lundbeck A/S (DK) 2010-06-23 EP claimed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 WO claimed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US claimed
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-20120196889-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2012-08-02 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 (3 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-20120196889-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 DRD2 184/4885DRD1 467/4885MTNR1B 125/4885
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 DRD2 184/4885DRD1 467/4885MTNR1B 125/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 DRD2 184/4885DRD1 467/4885MTNR1B 125/4885

“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.