SCHEMBL2833666

SCHEMBL2833666

O=C(O)CCCN1CCN(C(=O)CCNc2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
DRD2 P14416 6/20 0.48
ADRA1A P35348 6/20 0.48
DRD3 P35462 6/20 0.48
HTR7 P34969 4/20 0.47
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
HTT P42858 1/20 0.45
ITGB5 P18084 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL7675724 0.98 DRD2 (0.49) KDM4EHSD17B10CYP3A4CYP2C9HPGD
Trifluoroacetic Acid SCHEMBL5858033 0.94 DRD2 (0.46) KDM4EHSD17B10CYP3A4CYP2C9HPGD
SCHEMBL2843026 0.89 DRD3 (0.56) DRD2ADRA1ADRD3HTR1AITGB3
Trifluoroacetic Acid SCHEMBL5856786 0.83 DRD2 (0.53) DRD2ADRA1ADRD3ITGB3ITGAV
SCHEMBL7675733 0.81 DRD2 (0.47) DRD2ADRA1ADRD3ITGB3ITGAV
SCHEMBL2833676 0.78 KDM4E (0.42) KDM4EHSD17B10CYP3A4CYP2C9HPGD
SCHEMBL2833670 0.78 KDM4E (0.42) KDM4EHSD17B10CYP3A4CYP2C9HPGD
SCHEMBL4394126 0.77 ITGB3 (0.64) ITGB3ITGAVITGB5
SCHEMBL243759 0.77 ITGB3 (0.63) HSD17B10HPGDITGB3ITGAVITGB5
SCHEMBL2037116 0.76 ITGB3 (0.70) ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US claimed
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2018-12-06 US disclosed
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
EP-2730282-A1 Methods and compositions for the treatment of proteinuric diseases The General Hospital Corporation (US) 2014-05-14 EP disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (6 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 KDM4E 3438/4885HSD17B10 1876/4885CYP3A4 1713/4885
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC KDM4E 4380/4885HSD17B10 1806/4885CYP3A4 4143/4885
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV KDM4E 3466/4885HSD17B10 1734/4885CYP3A4 1942/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC KDM4E 4380/4885HSD17B10 1806/4885CYP3A4 4143/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC KDM4E 4380/4885HSD17B10 1806/4885CYP3A4 4143/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B KDM4E 4382/4885HSD17B10 1402/4885CYP3A4 2480/4885

“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.