SCHEMBL4454388

SCHEMBL4454388

O=C(O)[C@@H]1C=CCN1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.59
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGLN1 Q9GZT9 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
PIN1 Q13526 1/20 0.30

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
SCHEMBL4461003 1.00 ACE (0.59) ACEPOLBAPEX1TDP1EGLN1
SCHEMBL2229670 1.00 ACE (0.59) ACEPOLBAPEX1TDP1EGLN1
SCHEMBL247111 0.84 ACE (0.58) ACEPOLBAPEX1TDP1EGLN1
SCHEMBL28727117 0.84 ACE (0.58) ACEPOLBAPEX1TDP1EGLN1
SCHEMBL1075993 0.83 ACE (0.43) ACEPIN1
SCHEMBL28290379 0.78 ACE (0.43) ACEPOLBAPEX1TDP1
SCHEMBL6792635 0.78 ACE (0.75) ACE
SCHEMBL6792627 0.78 ACE (0.75) ACE
SCHEMBL4885276 0.78 ACE (0.51) ACEITGB2ICAM1ITGAL
SCHEMBL5127864 0.78 ACE (0.51) ACEITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
US-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-12-28 US disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 WO disclosed
EP-3959208-B1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2023-07-05 EP disclosed
US-20230120254-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2023-04-20 US disclosed
EP-4166539-A1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2023-04-19 EP disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 US disclosed
US-11452711-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-09-27 US disclosed
US-20220218849-A1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2022-07-14 US disclosed
US-11351149-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-06-07 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
EP-2867224-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-07-26 EP disclosed
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
CN-101605794-A Azabenzofuranyl compounds and methods of use GENENTECH INC (US) 2009-12-16 CN disclosed
US-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1978965-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-10-15 EP disclosed
WO-2007087224-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-08-02 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 (11 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ACE 3561/4885POLB 4839/4885APEX1 3531/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ACE 3561/4885POLB 4839/4885APEX1 3531/4885
US-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists TACR1, PROKR1, TACR2 ACE 196/4885POLB 3324/4885APEX1 3021/4885
US-11452711-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 ACE 5/4885POLB 89/4885APEX1 338/4885
US-20220218849-A1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF CCNY, CCNC, CPN1 ACE 2798/4885POLB 750/4885APEX1 2989/4885
US-20230120254-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 ACE 5/4885POLB 89/4885APEX1 338/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L ACE 3516/4885POLB 1891/4885APEX1 4139/4885
US-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT SLC1A5, SLC7A1, SLC7A5 ACE 1294/4885POLB 3896/4885APEX1 1870/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 ACE 2460/4885POLB 928/4885APEX1 1003/4885
US-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 ACE 5/4885POLB 89/4885APEX1 338/4885
US-11351149-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 ACE 5/4885POLB 89/4885APEX1 338/4885

“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.