SCHEMBL371407

SCHEMBL371407

CCOP(=O)(OCC)C(C)NCCCN

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL371460 0.81 DRD3 (0.31) MEN1KMT2ACYP1A2CA12CA2
SCHEMBL371419 0.73 BLM (0.43) CYP1A2TSHRCYP3A4TDP1
SCHEMBL371406 0.71 CYP1A2 (0.36) MEN1KMT2ACYP1A2TSHRCYP3A4
SCHEMBL8811318 0.71 MEN1 (0.40) MEN1KMT2ACYP1A2TSHRPOLB
SCHEMBL28676330 0.71 MEN1 (0.44) MEN1KMT2ACYP1A2CA12CA1
SCHEMBL3147520 0.69 TDP1 (0.36) MEN1KMT2AGAATSHRNPSR1
SCHEMBL8602788 0.68 CPB2 (0.39) MEN1KMT2ACYP1A2TSHRPOLB
SCHEMBL282248 0.67 TSHR (0.48) GAATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL19792824 0.67 CYP1A2 (0.41) MEN1KMT2ACYP1A2TSHRPOLB
SCHEMBL28876472 0.66 TSHR (0.42) GAATSHRCYP3A4CYP2C9CYP2C19

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 13 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
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
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-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 MEN1 1115/4885KMT2A 3650/4885CYP1A2 2844/4885
US-20090061024-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT GRIN3A, GRIN1, GRIN2A MEN1 4316/4885KMT2A 488/4885CYP1A2 4351/4885
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 MEN1 2365/4885KMT2A 3175/4885CYP1A2 813/4885
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 MEN1 1109/4885KMT2A 3598/4885CYP1A2 2924/4885

“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.