SCHEMBL17493534

SCHEMBL17493534

COc1cc(OBOc2cc(OC)ncc2F)c(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.34
▸ TDO2 P48775 2/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL18995976 0.87 NNMT (0.37) NNMTTDO2ERN1RPS6KA3PDGFRB
SCHEMBL8118182 0.84 DRD1 (0.39) NNMTTDO2ERN1RPS6KA3PDGFRB
SCHEMBL14840944 0.76 NNMT (0.46) NNMTERN1PDGFRBPDGFRAGABRP
SCHEMBL30630434 0.75 ERN1 (0.37) NNMTTDO2ERN1RPS6KA3GABRP
SCHEMBL11996768 0.72 NNMT (0.50) NNMTTDO2ERN1RPS6KA3PDGFRB
SCHEMBL29002075 0.71 NNMT (0.40) NNMTERN1FFAR4ALDH1A1MAPT
SCHEMBL23723761 0.71 ERN1 (0.41) NNMTTDO2ERN1RPS6KA3GABRP
SCHEMBL6645270 0.71 NNMT (0.41) NNMTTDO2ERN1RPS6KA3GABRP
SCHEMBL3153753 0.71 NNMT (0.37) NNMTTDO2ERN1RPS6KA3GABRP
SCHEMBL16629013 0.71 NNMT (0.37) NNMTTDO2ERN1RPS6KA3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119156380-A Solid crystalline forms of PPAR-gamma modulators and methods of use thereof 卫材R&D管理有限公司 2024-12-17 — — CN disclosed
CN-118852163-A Macrocyclic compound containing heteroatoms, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-10-29 — — CN disclosed
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 — — CN disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
CN-115867536-A GPR40 agonists 卡尔优普公司 2023-03-28 — — CN disclosed
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 — — CN disclosed
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 — — EP disclosed
US-10662171-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2020-05-26 — — US disclosed
US-9920040-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-20 — — US disclosed
US-9908873-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-06 — — US disclosed
EP-3177282-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 — — EP disclosed
EP-3177614-A1 [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 — — EP disclosed
WO-2017027310-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — US disclosed
WO-2017027312-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — US disclosed
WO-2017027309-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
US-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — US disclosed
WO-2016019863-A1 [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 — — WO disclosed
WO-2016022448-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 — — 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 (4 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-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 NNMT 4193/4885TDO2 3043/4885ERN1 3235/4885
US-10662171-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R NNMT 3656/4885TDO2 3835/4885ERN1 3146/4885
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 NNMT 3864/4885TDO2 2353/4885ERN1 3126/4885
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR55, GPR65 NNMT 4599/4885TDO2 2523/4885ERN1 3023/4885

“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.

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