SCHEMBL3345205

SCHEMBL3345205

CC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.64
CHEK2 O96017 1/20 0.57
PDE4D Q08499 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
ALDH1A1 P00352 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
USP30 Q70CQ3 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1649132 0.90 GPR119 (0.64) GPR119CHEK2PDE4DPDE4APDE4B
Hydrochloric Acid SCHEMBL14632585 0.88 GPR119 (0.63) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL5530954 0.88 CHEK2 (0.67) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL240683 0.87 GPR119 (0.61) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL74203 0.86 GPR119 (0.67) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL12533230 0.86 GPR119 (0.67) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL264162 0.86 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3USP30
SCHEMBL2735422 0.86 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3USP30
SCHEMBL1375476 0.86 GPR119 (0.60) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL7334976 0.86 GPR119 (0.60) GPR119CHEK2PDE4DPDE4APDE4B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
CN-112469719-B Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2024-01-23 CN disclosed
EP-3797107-B1 HETEROCONDENSED PYRIDONE COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2022-08-10 EP disclosed
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-07-08 US disclosed
EP-3797107-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2021-03-31 EP disclosed
CN-112469719-A Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2021-03-09 CN disclosed
US-20180155323-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2018-06-07 US disclosed
US-9951048-B1 Isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2018-04-24 US disclosed
US-20180093970-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2018-04-05 US disclosed
US-20170313682-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2017-11-02 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
US-7297694-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHUM P.L.C. (GB) 2007-11-20 US disclosed
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-16 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 (8 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR119 25/4885CHEK2 2491/4885PDE4D 588/4885
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors IDH1, IDH2, IDH3A GPR119 1812/4885CHEK2 379/4885PDE4D 3396/4885
US-20180093970-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A GPR119 2568/4885CHEK2 2424/4885PDE4D 2668/4885
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A GPR119 1812/4885CHEK2 379/4885PDE4D 3396/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR119 25/4885CHEK2 2491/4885PDE4D 588/4885
US-20180155323-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A GPR119 2568/4885CHEK2 2424/4885PDE4D 2668/4885
US-20170313682-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A GPR119 2568/4885CHEK2 2424/4885PDE4D 2668/4885
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 GPR119 2931/4885CHEK2 376/4885PDE4D 1123/4885

“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.