SCHEMBL51194

SCHEMBL51194

COc1cc2ccc(OC)c(OC)c2cc1C=CC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
MAPT P10636 3/20 0.45
FDPS P14324 1/20 0.43
TDO2 P48775 6/20 0.38
IDO1 P14902 5/20 0.38
CYP1A1 P04798 5/20 0.38
CYP1B1 Q16678 5/20 0.38
CYP1A2 P05177 3/20 0.38
ACHE P22303 2/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
RAD52 P43351 2/20 0.36
EP300 Q09472 2/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 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
SCHEMBL10034505 0.89 FDPS (0.38) CYP3A4MAPTFDPSCYP1A1CYP1B1
SCHEMBL13851896 0.88 RAC1 (0.43) CYP3A4MAPTFDPSCYP1B1ACHE
SCHEMBL7906421 0.83 CYP3A4 (0.43) CYP3A4MAPTTDO2IDO1CYP1A1
SCHEMBL81312 0.82 CYP3A4 (0.53) CYP3A4MAPTTDO2IDO1CYP1A1
SCHEMBL21255421 0.80 CYP3A4 (0.41) CYP3A4MAPTTDO2IDO1CYP1A1
SCHEMBL79099 0.77 MAPT (0.43) CYP3A4MAPTTDO2IDO1CYP1A1
SCHEMBL1890112 0.77 CYP1A1 (0.54) CYP3A4MAPTFDPSCYP1A1CYP1B1
SCHEMBL1890110 0.77 CYP1A1 (0.54) CYP3A4MAPTFDPSCYP1A1CYP1B1
SCHEMBL4293047 0.74 HMGCR (0.59) CYP3A4FDPSCYP1A1CYP1B1CYP1A2
SCHEMBL11861241 0.72 CYP1A1 (0.62) MAPTFDPSCYP1A1CYP1B1CYP1A2

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 11 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-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-8129530-B2 Catecholamine derivatives and prodrugs thereof H. LUNDBECK A/S (DK) 2012-03-06 US disclosed
WO-2010097091-A1 METHODS OF ADMINISTERING (4AR, 1OAR)-I-N-PROPYL-I, 2,3,4A7 S1IO7 IOA-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) 2010-09-02 WO disclosed
WO-2010097092-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. LUNDBECK A/S (DK) 2010-09-02 WO 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

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 CYP3A4 408/4885MAPT 1597/4885FDPS 3865/4885
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 CYP3A4 29/4885MAPT 1508/4885FDPS 1147/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 CYP3A4 29/4885MAPT 1508/4885FDPS 1147/4885
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS PARK7, ACHE, SNCA CYP3A4 1821/4885MAPT 240/4885FDPS 583/4885

“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.