SCHEMBL371419

SCHEMBL371419

CC(NCCCN)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
ANPEP P15144 2/20 0.42
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28852802 0.81 MMP2 (0.45) ANPEP
SCHEMBL4368473 0.80 BLM (0.48) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL371406 0.77 CYP1A2 (0.36) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL9564515 0.76 BLM (0.46) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL371460 0.76 DRD3 (0.31) BLMDRD3CYP1A2THPO
SCHEMBL23631719 0.76 MMP2 (0.46) ANPEP
SCHEMBL9792360 0.74 ANPEP (0.36) ANPEPALDH1A1TDP1
SCHEMBL371407 0.73 MEN1 (0.35) CYP3A4CYP1A2TSHRTDP1
SCHEMBL3795216 0.72 BLM (0.50) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL10456626 0.72 ANPEP (0.37) BLMLMNACYP3A4NFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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-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 BLM 4337/4885LMNA 1428/4885CYP3A4 840/4885

“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.