SCHEMBL50429

SCHEMBL50429

CCOC(=O)c1cccnc1Cc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPT P10636 3/20 0.50
ALOX15 P16050 3/20 0.50
USP2 O75604 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 3/20 0.49
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
PPP1CA P62136 2/20 0.47
PDE5A O76074 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 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
SCHEMBL8081834 0.83 POLB (0.55) TSHRLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4181116 0.83 TSHR (0.64) TSHRLMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17288352 0.78 HSD17B10 (0.53) TSHRLMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17595922 0.78 L3MBTL1 (0.58) TSHRALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL7375134 0.78 TSHR (0.71) TSHRLMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11528884 0.76 ALDH1A1 (0.56) TSHRLMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13851903 0.73 L3MBTL1 (0.55) LMNAALDH1A1HSD17B10MAPTUSP2
SCHEMBL844745 0.73 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HSD17B10TP53
SCHEMBL1095991 0.73 HPGD (0.51) TSHRLMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL29570791 0.72 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1HSD17B10MAPT

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 15 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
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
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
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
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 (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 TSHR 1566/4885LMNA 1892/4885SMN1; SMN2 2241/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 TSHR 1566/4885LMNA 1892/4885SMN1; SMN2 2241/4885

“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.