SCHEMBL4566087

SCHEMBL4566087

O=C(O)CC1CNC(=O)CN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.52
ITGA5 P08648 2/20 0.52
ITGB3 P05106 1/20 0.52
ITGB2 P05107 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGB5 P18084 1/20 0.52
ITGAL P20701 1/20 0.52
SLC6A1 P30531 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRB2 P47870 4/20 0.41
SLC6A12 P48065 4/20 0.41
SLC6A11 P48066 4/20 0.41
GABRA1 P14867 3/20 0.41
GABRR1 P24046 3/20 0.41
GABRA4 P48169 3/20 0.41
SLC6A13 Q9NSD5 3/20 0.35
TSHR P16473 4/20 0.34
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8831747 0.76
SCHEMBL28296227 0.74
SCHEMBL23802787 0.74 ITGB3 (0.50) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL23802737 0.74 ITGB3 (0.50) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10153595 0.74
SCHEMBL31324256 0.72 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL27598253 0.72 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL6600860 0.72 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL6607266 0.72 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL17459867 0.69 EGLN1 (0.47) GABRA5GABRB2GABRA1GABRR1GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
CN-1849121-A Piperazine derivatives as bradyknin antagonist AMGEN INC (US) 2006-10-18 CN disclosed
US-20060178370-A1 Ketopiperazine derivatives as bradykinin antagonists MERCK & CO., INC. 2006-08-10 US disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US disclosed
WO-2004083173-A2 KETOPIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2004-09-30 WO disclosed
WO-2003013740-A1 4- AND 5-AMINO-α, β UNSTATURATED ESTER SOLID SUPPORT TEMPLATES, METHOD OF PREPARATION AND FOR USING THE SAME ADVANCED SYNTECH, LLC (US) 2003-02-20 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 (3 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ITGB1 3570/4885ITGA5 2134/4885ITGB3 2913/4885
US-20060178370-A1 Ketopiperazine derivatives as bradykinin antagonists BDKRB1, BDKRB2, KLKB1 ITGB1 2251/4885ITGA5 3818/4885ITGB3 3466/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE ITGB1 3287/4885ITGA5 2460/4885ITGB3 3329/4885

“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.