SCHEMBL4047546

SCHEMBL4047546

CC(C)(C)OC(=O)N1CC=C(C#Cc2cnc(C(F)(F)F)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.60
GRM1 Q13255 10/20 0.40
CYP11B2 P19099 1/20 0.39
PDK4 Q16654 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL4536276 0.84 GRM5 (0.40) GRM5
SCHEMBL8142754 0.82 GRM5 (0.59) GRM5GRM1PDK4GPR119ESR2
SCHEMBL19989696 0.81 GRM5 (0.69) GRM5GRM1PDK4GPR119ESR2
SCHEMBL14995149 0.79 GRM5 (0.70) GRM5GRM1PDK4GPR119ESR2
SCHEMBL9903364 0.78 GRM5 (0.62) GRM5GRM1PDK4
Hydrochloric Acid SCHEMBL5798994 0.78 GRM5 (0.52) GRM5GRM1CYP11B2PDK4GPR119
SCHEMBL941018 0.77 GRM5 (0.61) GRM5GRM1PDK4ESR2
SCHEMBL2893138 0.77 GRM5 (0.63) GRM5GRM1PDK4ESR2
SCHEMBL3348910 0.77 GRM5 (0.66) GRM5GRM1CYP11B2PDK4ESR2
SCHEMBL8142756 0.76 GRM5 (0.62) GRM5GRM1PDK4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ERIKSSON ANDERS 2009-12-03 US disclosed
EP-1732903-B1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1732903-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005095362-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2005-10-13 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-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd MMP9, MMP3, MMP25 GRM5 2004/4885GRM1 1683/4885CYP11B2 154/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 GRM5 1923/4885GRM1 1570/4885CYP11B2 138/4885

“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.