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SCHEMBL268002

SCHEMBL268002

CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.56
▸ PPARA Q07869 5/20 0.51
▸ PPARG P37231 4/20 0.51
▸ PTPN1 P18031 3/20 0.50
▸ PTPRA P18433 1/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ CTSS P25774 4/20 0.49
▸ CTSK P43235 3/20 0.49
▸ PPARD Q03181 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ IDO1 P14902 1/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC1 Q13547 2/20 0.46

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
SCHEMBL29573143 1.00 ACE (0.56) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL29613833 1.00 ACE (0.56) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL215178 1.00 ACE (0.56) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL215179 1.00 ACE (0.56) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL8138118 0.91 ACE (0.59) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL5045604 0.91 ACE (0.48) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL5671145 0.91 ACE (0.59) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL16228483 0.91 ATM (0.50) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL16228480 0.91 ATM (0.50) ACEPPARAPPARGPTPN1PTPRA
SCHEMBL16118683 0.91 ATM (0.50) ACEPPARAPPARGPTPN1PTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109676-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS RECURSION PHARMACEUTICALS INC (US) 2026-04-23 — — US disclosed
US-12528779-B2 Heterocyclic compounds and related methods RECURSION PHARMACEUTICALS, INC. (US) 2026-01-20 — — US disclosed
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240228444-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS RECURSION PHARMACEUTICALS, INC. 2024-07-11 — — US disclosed
US-11919868-B2 Heterocyclic compounds and related methods RECURSION PHARMACEUTICALS, INC. (US) 2024-03-05 — — US disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
EP-4301746-A1 DIAZEPINE DERIVATIVES USEFUL IN THE TREATMENT OF CLOSTRIDIUM DIFFICILE Recursion Pharmaceuticals, Inc. (US) 2024-01-10 — — EP disclosed
CN-117242061-A Diazepine derivatives for the treatment of clostridium difficile 递归医药公司 2023-12-15 — — CN disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 — — CN disclosed
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH 2005-05-19 — — US disclosed
US-20040254374-A1 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases ELI LILLY AND COMPANY 2004-12-16 — — US disclosed
EP-1456198-A1 ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES ELI LILLY AND COMPANY (US) 2004-09-15 — — EP disclosed
WO-2003050109-A1 ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES ELI LILLY AND COMPANY (US) 2003-06-19 — — WO disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 — — US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 — — US disclosed
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 — — US disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 — — US disclosed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 — — EP disclosed
US-4504414-A Synthetic pyridyl-alanyl decapeptides having antiovulatory activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1985-03-12 — — 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ACE 2233/4885PPARA 2114/4885PPARG 2444/4885
US-20260109676-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS SLC10A1, SCN1B, HSD3B2 ACE 524/4885PPARA 3344/4885PPARG 2896/4885
US-20240228444-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS CYP11B2, CYP11B1, MAPT ACE 130/4885PPARA 1567/4885PPARG 708/4885
US-12528779-B2 Heterocyclic compounds and related methods SLC10A1, SCN1B, NPY5R ACE 428/4885PPARA 3608/4885PPARG 3429/4885
US-20040254374-A1 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases XPNPEP1, XDH, SERPINC1 ACE 798/4885PPARA 2061/4885PPARG 1379/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI ACE 387/4885PPARA 4758/4885PPARG 4748/4885
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents HTR1A, HTR5A, HTR2C ACE 3364/4885PPARA 3205/4885PPARG 3385/4885
US-11919868-B2 Heterocyclic compounds and related methods CYP11B2, CYP11B1, MAPT ACE 130/4885PPARA 1567/4885PPARG 708/4885

“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.