SCHEMBL5820161

SCHEMBL5820161

CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
GSK3B P49841 1/20 0.50
KDM4E B2RXH2 12/20 0.48
ALDH1A1 P00352 9/20 0.48
GAA P10253 8/20 0.48
HSD17B10 Q99714 6/20 0.48
CASP1 P29466 5/20 0.48
HPGD P15428 5/20 0.48
CASP7 P55210 4/20 0.48
GLA P06280 3/20 0.48
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD1 P21728 2/20 0.47
TBXA2R P21731 2/20 0.47
SLC6A2 P23975 2/20 0.47
ADRA1A P35348 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A3 Q01959 2/20 0.47

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
SCHEMBL6027980 0.89 NPSR1 (0.53) NPSR1GSK3BKDM4EALDH1A1GAA
SCHEMBL6030181 0.88 KDM4E (0.51) NPSR1GSK3BKDM4EALDH1A1GAA
SCHEMBL5809546 0.88 NPSR1 (0.51) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL5810841 0.88 KDM4E (0.49) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL6028346 0.87 HTR1A (0.63) NPSR1GSK3BKDM4EALDH1A1GAA
SCHEMBL5810980 0.87 HTR1A (0.63) NPSR1GSK3BKDM4EALDH1A1GAA
SCHEMBL5815722 0.87 HTR1A (0.63) NPSR1GSK3BKDM4EALDH1A1GAA
SCHEMBL5810972 0.87 HTR1A (0.63) NPSR1GSK3BKDM4EALDH1A1GAA
SCHEMBL5809720 0.87 HTR1A (0.49) NPSR1KDM4EALDH1A1HSD17B10CASP1
SCHEMBL5823596 0.87 HTR1A (0.51) NPSR1GSK3BKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
WO-2006065842-A2 5,6,7,8-TETRAHYDROQUINOLINES AND RELATED COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORP. (US) 2006-06-22 WO disclosed
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP disclosed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US disclosed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO 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 (1 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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR NPSR1 703/4885GSK3B 3181/4885KDM4E 2337/4885

“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.