SCHEMBL21403965

SCHEMBL21403965

COc1cc(Cl)c(C)cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.50
GRM1 Q13255 8/20 0.48
GRM5 P41594 7/20 0.48
CNR1 P21554 2/20 0.47
HTR6 P50406 1/20 0.44
JAK1 P23458 1/20 0.44
SUV39H2 Q9H5I1 1/20 0.42
NAMPT P43490 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL19701842 0.92 PDK4 (0.53) PDK4GRM1GRM5CNR1HTR6
SCHEMBL21424861 0.88 PDK4 (0.49) PDK4GRM1GRM5CNR1HTR6
SCHEMBL24670784 0.87 PDK4 (0.50) PDK4GRM1GRM5CNR1HTR6
SCHEMBL21404031 0.86 PDK4 (0.49) PDK4GRM1GRM5CNR1HTR6
SCHEMBL14270852 0.85 PDK4 (0.50) PDK4GRM1GRM5CNR1HTR6
SCHEMBL4825697 0.83 CNR1 (0.54) PDK4GRM1GRM5CNR1HTR6
SCHEMBL4320016 0.83 CNR1 (0.54) PDK4GRM1GRM5CNR1HTR6
SCHEMBL19701843 0.83 PDK4 (0.55) PDK4GRM1GRM5CNR1HTR6
SCHEMBL4924621 0.82 PDK4 (0.48) PDK4GRM1GRM5CNR1HTR6
SCHEMBL31342347 0.82 PDK4 (0.49) PDK4GRM1GRM5CNR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468961-B1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2020-06-10 EP disclosed
EP-3468961-B1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2020-06-10 EP disclosed
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis GALAPAGOS NV (BE) 2020-02-04 US disclosed
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis GALAPAGOS NV (BE) 2020-02-04 US disclosed
US-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-03 US disclosed
US-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-03 US 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-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS ADAMTS5, ADAMTS4, ADAMTS1 PDK4 1352/4885GRM1 4600/4885GRM5 2955/4885
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis ADAMTS5, ADAMTS4, ADAMTS1 PDK4 1074/4885GRM1 4411/4885GRM5 2997/4885

“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.