SCHEMBL2833676

SCHEMBL2833676

CC(Nc1ccccn1)C(=O)N1CCN(CCCC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.42
HTR1A P08908 6/20 0.41
DRD2 P14416 6/20 0.41
DRD3 P35462 5/20 0.41
HTR2A P28223 4/20 0.41
HTR7 P34969 4/20 0.41
DRD4 P21917 3/20 0.41
HTR2C P28335 3/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1A P35348 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL2833670 1.00 KDM4E (0.42) KDM4EALDH1A1TP53HTR1ADRD2
SCHEMBL7675733 0.94 DRD2 (0.47) DRD2DRD3ADRA1A
SCHEMBL7675728 0.84 DRD2 (0.46) TP53DRD2DRD3HRH2HRH1
SCHEMBL2843026 0.78 DRD3 (0.56) HTR1ADRD2DRD3HTR2AADRA1A
SCHEMBL2833666 0.78 KDM4E (0.49) KDM4EHTR1ADRD2DRD3HTR7
SCHEMBL7675724 0.76 DRD2 (0.49) KDM4EHTR1ADRD2DRD3HTR7
Gamma-Aminobutyric Acid SCHEMBL14940983 0.73 POLB (0.43) KDM4EALDH1A1LMNACYP1A2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5858033 0.73 DRD2 (0.46) KDM4EHTR1ADRD2DRD3HTR7
Trifluoroacetic Acid SCHEMBL5856786 0.72 DRD2 (0.53) DRD2DRD3ADRA1A
SCHEMBL10005876 0.72 POLB (0.47) KDM4EALDH1A1LMNASMN1; SMN2

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 3438/4885ALDH1A1 1037/4885TP53 3914/4885
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC KDM4E 4380/4885ALDH1A1 3511/4885TP53 4785/4885
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV KDM4E 3466/4885ALDH1A1 669/4885TP53 3867/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC KDM4E 4380/4885ALDH1A1 3511/4885TP53 4785/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC KDM4E 4380/4885ALDH1A1 3511/4885TP53 4785/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B KDM4E 4382/4885ALDH1A1 834/4885TP53 4634/4885

“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.