SCHEMBL3562291

SCHEMBL3562291

COC(=O)C(C)(CN)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CTSS P25774 1/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRB P23467 1/20 0.47
ACP1 P24666 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SYK P43405 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
TACR1 P25103 1/20 0.43
CPB1 P15086 1/20 0.43
POLB P06746 1/20 0.43

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
Hydrochloric Acid SCHEMBL5672178 0.87 CTSS (0.52) MEN1KMT2ACTSSSMN1; SMN2CA12
SCHEMBL3559422 0.87 MEN1 (0.61) MEN1KMT2ACTSSPTPN2PTPN1
Hydrochloric Acid SCHEMBL5672181 0.87 CTSS (0.52) MEN1KMT2ACTSSSMN1; SMN2CA12
SCHEMBL28833773 0.86 MEN1 (0.60) MEN1KMT2ACTSSPTPN2PTPN1
SCHEMBL16974952 0.86 KMT2A (0.60) MEN1KMT2ACTSSPTPN2PTPN1
SCHEMBL28833866 0.86 MEN1 (0.60) MEN1KMT2ACTSSPTPN2PTPN1
SCHEMBL28833774 0.86 MEN1 (0.60) MEN1KMT2ACTSSPTPN2PTPN1
SCHEMBL19946093 0.84 CTSS (0.67) MEN1KMT2ACTSSPTPN2PTPN1
SCHEMBL6538869 0.83 MEN1 (0.63) MEN1KMT2ACTSSPTPN2PTPN1
SCHEMBL539520 0.83 MEN1 (0.56) MEN1KMT2ACTSSPTPN2PTPN1

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 MEN1 1919/4885KMT2A 4297/4885CTSS 3810/4885

“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.