SCHEMBL3566294

SCHEMBL3566294

CCOC(CNCC(F)(F)F)OCC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31

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
SCHEMBL1560149 0.80 THRB (0.32) THRB
SCHEMBL8315999 0.78 THRB (0.42) THRB
SCHEMBL6522995 0.77
SCHEMBL2263311 0.74 KDM4E (0.41) THRB
SCHEMBL2262042 0.73 THRB (0.33) THRB
SCHEMBL3568802 0.71 THRB (0.32) THRB
SCHEMBL24307971 0.70 LMNA (0.39) THRB
SCHEMBL10931582 0.70 ANPEP (0.38) THRB
SCHEMBL10563007 0.69 THRB (0.38) THRB
SCHEMBL10286003 0.69 ADH1B (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652007-B2 Obesity, type II diabetes; such as 6-(4-Chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-26 US disclosed
EP-1597259-B1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO 1,2-A PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-30 EP disclosed
EP-1597259-A1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO 1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20050085483-A1 Nitrogen-substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-21 US disclosed
WO-2004072077-A1 NITROGEN-SUBSTITUTED HEXAHYDROPYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSHLAND GMBH (DE) 2004-08-26 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-20050085483-A1 Nitrogen-substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments DPYD, NUDT1, NT5C2 THRB 4167/4885

“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.