SCHEMBL941018

SCHEMBL941018

CC(C)(C)OC(=O)N1CC=C(C#Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.61
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 2/20 0.45
ESR2 Q92731 1/20 0.44
STS P08842 2/20 0.44
PDK4 Q16654 1/20 0.43
GRM1 Q13255 5/20 0.43
ADK P55263 1/20 0.42
NAMPT P43490 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL14995149 0.88 GRM5 (0.70) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL19989696 0.87 GRM5 (0.69) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL8142754 0.86 GRM5 (0.59) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL2893138 0.81 GRM5 (0.63) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL2893109 0.79 GRM5 (0.58) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL652961 0.79 NAMPT (0.60) GRM5MEN1KMT2ACNR1STS
SCHEMBL20001581 0.78 GRM5 (0.60) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL3348910 0.78 GRM5 (0.66) GRM5ESR2PDK4GRM1NAMPT
SCHEMBL4047546 0.77 GRM5 (0.60) GRM5ESR2PDK4GRM1
SCHEMBL8139008 0.77 GRM5 (0.62) GRM5MEN1KMT2AESR2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (4 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GRM5 3668/4885MEN1 1464/4885KMT2A 1563/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GRM5 3668/4885MEN1 1464/4885KMT2A 1563/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GRM5 3668/4885MEN1 1464/4885KMT2A 1563/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 GRM5 4150/4885MEN1 1227/4885KMT2A 1715/4885

“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.