SCHEMBL371405

SCHEMBL371405

CCOP(=O)(CCNCCCN)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.48
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 3/20 0.43
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CASP2 P42575 2/20 0.43
F13A1 P00488 2/20 0.43
ALOX15 P16050 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
THPO P40225 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 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
SCHEMBL9203519 0.92 PPARD (0.52) PPARDCYP1A2CA12CA2CA9
SCHEMBL491800 0.86 PPARD (0.62) PPARDCA12CA2CA9MEN1
SCHEMBL3341956 0.85 PPARD (0.52) PPARDCA12CA2CA9MEN1
SCHEMBL2816261 0.84 PPARD (0.42) PPARDCYP1A2CA12CA2CA9
SCHEMBL371461 0.81 BLM (0.47) DRD3BLMCYP1A2CA12CA2
SCHEMBL30604707 0.80 PPARD (0.57) PPARDCA12CA2CA9MEN1
Hydrochloric Acid SCHEMBL5595849 0.80 S1PR2 (0.58) PPARDCA12CA2CA9TSHR
SCHEMBL491488 0.80 PPARD (0.54) PPARDBLMCYP1A2THPOMEN1
SCHEMBL14768680 0.79 PPARD (0.46) PPARDCA12CA2CA9MEN1
SCHEMBL15532056 0.79 PPARD (0.65) PPARDCA12CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408790-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF Wyeth LLC (US) 2012-01-25 EP claimed
WO-2010108063-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF WYETH LLC (US) 2010-09-23 WO claimed
US-20120116074-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF CULLEN THOMAS GERARD (US) 2012-05-10 US disclosed
US-20120116074-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF CULLEN THOMAS GERARD (US) 2012-05-10 US disclosed
EP-2408790-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF Wyeth LLC (US) 2012-01-25 EP disclosed
WO-2010108063-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF WYETH LLC (US) 2010-09-23 WO disclosed
EP-2195031-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT Wyeth a Corporation of the State of Delaware (US) 2010-06-16 EP disclosed
US-20090061024-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT WYETH (US) 2009-03-05 US disclosed
US-20090061024-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT WYETH (US) 2009-03-05 US disclosed
WO-2009029618-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT WYETH (US) 2009-03-05 WO disclosed
US-20080114165-A1 Methods for the Preparation of {2-[(8,9)-Dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl]ethyl} Phosphonic Acid and Esters Thereof WYETH (US) 2008-05-15 US disclosed
US-20080114165-A1 Methods for the Preparation of {2-[(8,9)-Dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl]ethyl} Phosphonic Acid and Esters Thereof WYETH (US) 2008-05-15 US disclosed
US-20080114165-A1 Methods for the Preparation of {2-[(8,9)-Dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl]ethyl} Phosphonic Acid and Esters Thereof WYETH (US) 2008-05-15 US disclosed
US-7345032-B2 alkylation of 1,3-diaminopropane or addition to diethyl vinylphosphonate, to form N-(3-aminopropyl)aminoethanephosphonic acid diethyl ester, which is condensed with a squarate compound to give drugs used as N-methyl-D-aspartic acid (NMDA) antagonists WYETH (US) 2008-03-18 US disclosed
US-7345032-B2 alkylation of 1,3-diaminopropane or addition to diethyl vinylphosphonate, to form N-(3-aminopropyl)aminoethanephosphonic acid diethyl ester, which is condensed with a squarate compound to give drugs used as N-methyl-D-aspartic acid (NMDA) antagonists WYETH (US) 2008-03-18 US disclosed
US-7345032-B2 alkylation of 1,3-diaminopropane or addition to diethyl vinylphosphonate, to form N-(3-aminopropyl)aminoethanephosphonic acid diethyl ester, which is condensed with a squarate compound to give drugs used as N-methyl-D-aspartic acid (NMDA) antagonists WYETH (US) 2008-03-18 US disclosed
EP-1675863-A2 METHOD FOR THE PREPARATION OF {2-[8,9-DIOXO-2,6-DIAZA-BICYCLO[5.2.0]-NON-1(7)-EN-2-YL]ETHYL} PHOSPHONIC ACID AND ESTERS THEREOF Wyeth (US) 2006-07-05 EP disclosed
WO-2005040176-A2 METHODS FOR THE PREPARATION OF {2-[8,9-DIOXO-2,6-DIAZA-BICYCLO[5.2.0]-NON-1(7)-EN-2-YL]ETHYL}PHOSPHONIC ACID AND ESTERS THEREOF WYETH (US) 2005-05-06 WO disclosed
US-20050090470-A1 Methods for the preparation of {2-[(8,9)-dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl[ethyl} phosphonic acid and esters thereof WYETH (US) 2005-04-28 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-20050090470-A1 Methods for the preparation of {2-[(8,9)-dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl[ethyl} phosphonic acid and esters thereof PHOSPHO1, ENPP1, ENO1 PPARD 824/4885DRD3 3877/4885BLM 3060/4885
US-20090061024-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT GRIN3A, GRIN1, GRIN2A PPARD 894/4885DRD3 1206/4885BLM 3816/4885
US-20120116074-A1 METHODS FOR THE PREPARATION OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ETHYL]PHOSPHONIC ACID AND PRECURSORS THEREOF DERA, ENO1, PPIP5K2 PPARD 866/4885DRD3 4459/4885BLM 4337/4885
US-20080114165-A1 Methods for the Preparation of {2-[(8,9)-Dioxo-2,6-diaza-bicyclo[5.2.0]-non-1(7)-en-2-yl]ethyl} Phosphonic Acid and Esters Thereof PHOSPHO1, ENPP1, ENO1 PPARD 805/4885DRD3 3811/4885BLM 3110/4885

“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.