SCHEMBL560762

SCHEMBL560762

Cc1c(-c2ccccc2)cc(C(=O)NCCCN2CCCCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.57
HTR2C P28335 8/20 0.57
SLC6A4 P31645 7/20 0.57
TRPV4 Q9HBA0 1/20 0.52
ELANE P08246 2/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SMYD2 Q9NRG4 1/20 0.48
DRD2 P14416 6/20 0.47
DRD3 P35462 4/20 0.47
HTR1A P08908 3/20 0.47
ADRA1A P35348 1/20 0.47
GPR52 Q9Y2T5 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL31490334 1.00 HTR2A (0.57) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL561336 0.87 TRPV4 (0.53) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL31490190 0.87 TRPV4 (0.53) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL4020607 0.85 ELANE (0.51) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL5759229 0.84 ELANE (0.57) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL5757603 0.84 ELANE (0.57) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL31490258 0.84 ELANE (0.49) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL561050 0.84 ELANE (0.49) HTR2AHTR2CSLC6A4TRPV4ELANE
SCHEMBL31490248 0.83 CNR2 (0.52) HTR2AHTR2CSLC6A4ELANE
SCHEMBL560993 0.83 CNR2 (0.52) HTR2AHTR2CSLC6A4ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501784-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2013-08-06 US claimed
EP-1663973-B3 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2019-09-25 EP disclosed
EP-1663973-B1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2013-12-25 EP disclosed
US-8501784-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2013-08-06 US disclosed
US-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-8063073-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2011-11-22 US disclosed
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use ASTRAZENECA AB (SE) 2007-08-30 US disclosed
EP-1663973-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026123-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 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-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE SERPINB1, ELANE, SERPINE1 HTR2A 2929/4885HTR2C 2945/4885SLC6A4 4392/4885
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use SERPINB1, ELANE, SERPINE1 HTR2A 2835/4885HTR2C 2842/4885SLC6A4 4362/4885

“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.