SCHEMBL1900963

SCHEMBL1900963

CCOC(=O)C=C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
ESR2 Q92731 2/20 0.43
NR1H2 P55055 2/20 0.42
GRM5 P41594 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2355722 1.00 ADORA1 (0.52) ADORA1ESR2NR1H2GRM5CYP3A4
SCHEMBL22679830 1.00 ADORA1 (0.52) ADORA1ESR2NR1H2GRM5CYP3A4
SCHEMBL4710869 0.92 ADORA1 (0.45) ADORA1ESR2NR1H2GRM5CYP3A4
SCHEMBL4710868 0.92 ADORA1 (0.45) ADORA1ESR2NR1H2GRM5CYP3A4
SCHEMBL4710867 0.92 ADORA1 (0.45) ADORA1ESR2NR1H2GRM5CYP3A4
SCHEMBL803581 0.92 ADORA1 (0.48) ADORA1ESR2GRM5CYP3A4CYP1A2
SCHEMBL30793314 0.91 ADORA1 (0.44) ADORA1ESR2NR1H2GRM5CYP3A4
SCHEMBL2676434 0.89 ADORA1 (0.42) ADORA1ESR2NR1H2GRM5CYP1A2
SCHEMBL5379778 0.87 ADORA1 (0.45) ADORA1ESR2GRM5CYP3A4CYP1A2
SCHEMBL5379779 0.87 ADORA1 (0.45) ADORA1ESR2GRM5CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337280-A Aryl heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2024-01-02 CN disclosed
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2022-05-05 US disclosed
US-11261186-B2 Biaryl derivative as GPR120 agonist LG CHEM. LTD. (KR) 2022-03-01 US disclosed
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2017-12-07 US disclosed
EP-3239143-A2 BIARYL DERIVATIVE AS GPR120 AGONIST LG Chem, Ltd. (KR) 2017-11-01 EP disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (5 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ADORA1 941/4885ESR2 34/4885NR1H2 122/4885
US-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 ADORA1 4077/4885ESR2 1699/4885NR1H2 2031/4885
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR ADORA1 680/4885ESR2 233/4885NR1H2 32/4885
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR ADORA1 680/4885ESR2 233/4885NR1H2 32/4885
US-11261186-B2 Biaryl derivative as GPR120 agonist GPR119, GPR88, FFAR1 ADORA1 211/4885ESR2 95/4885NR1H2 24/4885

“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.