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Sugi Predict / Compounds / SCHEMBL1104531

SCHEMBL1104531

SCHEMBL1104531

COC(=O)[C@@H]1CCC(O)N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ PREP P48147 4/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B1 P28845 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
SCHEMBL15773749 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL16577415 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL5832187 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL17014473 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL31134214 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL25867318 0.91 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL6088032 0.91 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL30899832 0.90 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL11934300 0.90 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL6126949 0.90 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545677-B2 Compounds useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2026-02-10 — — US disclosed
EP-4185587-B1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-09-10 — — EP disclosed
WO-2025123318-A1 TETRACYCLIC DERIVATIVES AS K-Ras G12D INHIBITORS SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2025-06-19 — — WO disclosed
WO-2025124415-A1 TETRACYCLIC DERIVATIVES AS K-Ras G12D INHIBITORS NIKANG THERAPEUTICS INC. (US) 2025-06-19 — — WO disclosed
US-20230312560-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 — — US disclosed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 — — US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
EP-4185587-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-05-31 — — EP disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 — — US disclosed
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 — — EP disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
US-8013170-B2 Substituted pyrrolo[1,2-d][1,4]-diazonines and treatment of brain damage NEUREN PHARMACEUTICALS LIMITED (AU) 2011-09-06 — — US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — US disclosed
WO-2009070692-A1 C5-SUBSTITUTED, PROLINE-DERIVED, MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 — — WO disclosed
US-7485630-B2 Neuroprotective macrocyclic compounds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2009-02-03 — — 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 (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-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 CHRM2 728/4885CHRM1 727/4885CHRM3 389/4885
US-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 CHRM2 2822/4885CHRM1 3172/4885CHRM3 1946/4885
US-20230312560-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 CHRM2 4854/4885CHRM1 4794/4885CHRM3 4791/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 CHRM2 4793/4885CHRM1 4412/4885CHRM3 4649/4885
US-12545677-B2 Compounds useful as factor XIa inhibitors F2, F11, F10 CHRM2 4441/4885CHRM1 3928/4885CHRM3 4621/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CHRM2 4876/4885CHRM1 4881/4885CHRM3 4787/4885

“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.