SCHEMBL394938

SCHEMBL394938

C=CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(=O)OC(C)(C)C)C1c1ccc(C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.70
CYP2C9 P11712 5/20 0.64
CYP3A4 P08684 2/20 0.51

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
SCHEMBL3482467 1.00 ELANE (0.70) ELANECYP2C9CYP3A4
SCHEMBL13872033 0.93 ELANE (0.72) ELANECYP2C9CYP3A4
SCHEMBL9914409 0.92 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL1245738 0.91 ELANE (0.84) ELANECYP2C9CYP3A4
SCHEMBL13872826 0.91 ELANE (0.84) ELANECYP2C9CYP3A4
SCHEMBL13872731 0.90 ELANE (0.72) ELANECYP2C9CYP3A4
SCHEMBL13540753 0.90 ELANE (0.72) ELANECYP2C9CYP3A4
SCHEMBL12890620 0.89 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL8222586 0.89 ELANE (0.80) ELANECYP2C9CYP3A4
SCHEMBL12890604 0.88 ELANE (0.62) ELANECYP2C9CYP3A4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 US disclosed
EP-1730121-A2 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2006-12-13 EP disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
WO-2005082863-A2 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
WO-2005082863-A2 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 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 (2 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-20080021053-A1 Heterocyclic Derivatives TNNI3, CYP11B2, TNNT2 ELANE 132/4885CYP2C9 838/4885CYP3A4 650/4885
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 2092/4885CYP3A4 1734/4885

“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.