Sugi Predict

Sugi Predict / Compounds / SCHEMBL8070913

SCHEMBL8070913

SCHEMBL8070913

CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.48
▸ SRC P12931 8/20 0.43
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL29100351 1.00 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL2254798 1.00 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL3725714 1.00 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL1085466 1.00 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL8065917 1.00 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL25207743 0.98 NR1H2 (0.47) NR1H2SRCCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL25216485 0.98 NR1H2 (0.47) NR1H2SRCCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL25209509 0.98 NR1H2 (0.47) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL1724522 0.88 NR1H2 (0.41) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL2526553 0.88 NR1H2 (0.41) NR1H2SRCCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION YIYOU BIOTECH (SHANGHAI) CO., LTD. (CN) 2024-11-21 — — US disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 — — EP disclosed
US-20240116926-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-04-11 — — US disclosed
WO-2023209086-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-11-02 — — WO disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 — — WO disclosed
CN-114149428-A Pyridine-fused ring compound and preparation method, intermediate, composition and application thereof 中国药科大学 2022-03-08 — — CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 — — EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 — — US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 — — US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
US-7994164-B2 Mineralocorticoid receptor antagonists and methods of use ELI LILLY AND COMPANY (US) 2011-08-09 — — US disclosed
US-7994164-B2 Mineralocorticoid receptor antagonists and methods of use ELI LILLY AND COMPANY (US) 2011-08-09 — — US disclosed
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE ELI LILLY AND COMPANY 2009-06-25 — — US disclosed
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE ELI LILLY AND COMPANY 2009-06-25 — — US disclosed
US-5969135-A COMPOUNDS FOR USE AS ANTISENSE CONTROL OF GENE EXPRESSION AND HYBRIDIZATION ICN PHARMACEUTICALS, INC. (US) 1999-10-19 — — US disclosed
EP-0789707-A4 AMINO ACID NUCLEIC ACIDS ICN PHARMACEUTICALS (US) 1999-02-24 — — EP disclosed
EP-0789707-A1 AMINO ACID NUCLEIC ACIDS ICN PHARMACEUTICALS (US) 1997-08-20 — — EP disclosed
WO-1996014330-A1 AMINO ACID NUCLEIC ACIDS ICNPHARMACEUTICALS (US) 1996-05-17 — — 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 (6 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-20240116926-A1 HETEROAROMATIC COMPOUNDS CYP1B1, CYP2D6, CYP1A1 NR1H2 510/4885SRC 1000/4885CHRM2 3095/4885
US-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 NR1H2 682/4885SRC 3068/4885CHRM2 1624/4885
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE NR3C2, MC2R, REN NR1H2 87/4885SRC 1389/4885CHRM2 851/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 NR1H2 665/4885SRC 3070/4885CHRM2 1549/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 NR1H2 682/4885SRC 3068/4885CHRM2 1624/4885
US-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION JAK1, WEE1, JAK2 NR1H2 2982/4885SRC 665/4885CHRM2 4735/4885

“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.