SCHEMBL50392

SCHEMBL50392

CCCN1CCC[C@H]2Cc3c(ccc4c3OCO4)C[C@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 1.00
DRD1 P21728 3/20 0.61
HTR1A P08908 8/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
GRM5 P41594 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BLM P54132 1/20 0.46

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
SCHEMBL50393 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL50391 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL22005280 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL10034501 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL50689 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL10034502 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL51683 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
Hydrochloric Acid SCHEMBL50839 0.99 DRD2 (0.98) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL242083 0.91 DRD2 (0.83) DRD2DRD1HTR1A
SCHEMBL50824 0.91 DRD2 (0.83) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 DRD2 184/4885DRD1 467/4885HTR1A 210/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 DRD2 184/4885DRD1 467/4885HTR1A 210/4885
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS PARK7, ACHE, SNCA DRD2 416/4885DRD1 906/4885HTR1A 469/4885

“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.