SCHEMBL4048946

SCHEMBL4048946

COc1ncc(C#CC2=CCN(C(=O)O)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
OGA O60502 1/20 0.37
ACACB O00763 1/20 0.34
GPR183 P32249 1/20 0.31
KCNH2 Q12809 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90B1 P14625 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL2285672 0.86 GRM5 (0.42) GRM5OGA
SCHEMBL5090735 0.84 GRM5 (0.43) GRM5ACACBGPR183KCNH2
SCHEMBL4536276 0.80 GRM5 (0.40) GRM5OGA
Hydrochloric Acid SCHEMBL5798994 0.77 GRM5 (0.52) GRM5
SCHEMBL28811006 0.76 GRM5 (0.47) GRM5
SCHEMBL8675743 0.76 GRM5 (0.49) GRM5
SCHEMBL2290995 0.74 GRM5 (0.44) GRM5KCNH2
SCHEMBL2892482 0.73 GRM5 (0.43) GRM5KCNH2
SCHEMBL4047546 0.70 GRM5 (0.60) GRM5
SCHEMBL4053802 0.70 GRM5 (0.43) GRM5KCNH2

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 4 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
CN-1960979-A Triazolone derivatives as MMP inhibitors for the treatment of asthma and copd ASTRAZENECA AB (SE) 2007-05-09 CN 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 2004/4885OGA 4520/4885ACACB 4257/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 GRM5 1923/4885OGA 4471/4885ACACB 4241/4885

“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.