SCHEMBL410744

SCHEMBL410744

CC(C)(C)OC(=O)CNCc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
ABCB1 P08183 1/20 0.45
PPARA Q07869 1/20 0.43
DPP4 P27487 1/20 0.43
SCN8A Q9UQD0 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
CYP19A1 P11511 1/20 0.40
HTT P42858 1/20 0.40
VNN1 O95497 1/20 0.39
S1PR1 P21453 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL4951642 0.86 EPHX2 (0.47) EPHX2LOXL2ABCB1PPARADPP4
SCHEMBL5346390 0.85 LOXL2 (0.53) EPHX2LOXL2SCN8ACACNA1GCACNA1B
SCHEMBL29860036 0.84 SCN8A (0.47) ABCB1SCN8AVNN1
SCHEMBL14205020 0.82 KMT2A (0.46) HTTS1PR1
SCHEMBL13662612 0.82 ATM (0.44) CA12CA1S1PR1CA7
SCHEMBL8421187 0.82 VSIR (0.44) SCN8ACA1CA2S1PR1
SCHEMBL15876277 0.82 MTNR1A (0.42) CA12CA1S1PR1CA7
SCHEMBL24022857 0.81 ABCB1 (0.40) EPHX2ABCB1SCN8AS1PR1
SCHEMBL6163414 0.81 LOXL2 (0.49) EPHX2LOXL2SCN8ACACNA1GCACNA1B
SCHEMBL8139519 0.81 TPSAB1 (0.45) LOXL2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR UNIV COPENHAGEN (DK) 2024-06-06 US disclosed
US-20240166612-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2024-05-23 US disclosed
EP-4305009-A2 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR University of Copenhagen (DK) 2024-01-17 EP disclosed
EP-4294523-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-Biotix Therapeutics, Inc. (US) 2023-12-27 EP disclosed
WO-2022189304-A2 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR UNIVERSITY OF COPENHAGEN (DK) 2022-09-15 WO disclosed
EP-4056546-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR University of Copenhagen (DK) 2022-09-14 EP disclosed
WO-2022178228-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 US disclosed
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
US-6646124-B2 Gamma-aminobutyric acid (GABA) agonists, antagonists or inverse agonists; treatment of anxiety, Down Syndrome, sleep, cognitive and seizure disorders, and overdose with benzodiazepine drugs NEUROGEN CORPORATION 2003-11-11 US disclosed
US-20020156280-A1 Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands NEUROGEN CORPORATION, CORPORATION OF THE STATE OF DELAWARE 2002-10-24 US disclosed
US-6399604-B1 ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, AND OVERDOSE WITH BENZODIAZEPINE DRUGS NEUROGEN CORPORATION 2002-06-04 US disclosed
US-6143760-A Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-11-07 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 (5 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-20020156280-A1 Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands GABRA4, GABRA1, GABRA2 EPHX2 2928/4885LOXL2 2831/4885ABCB1 391/4885
US-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR NBAS, HRAS, NAA15 EPHX2 1067/4885LOXL2 1240/4885ABCB1 2911/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB EPHX2 2340/4885LOXL2 1771/4885ABCB1 1198/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB EPHX2 2340/4885LOXL2 1771/4885ABCB1 1198/4885
US-20240166612-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AGXT, AADAC, AGPAT2 EPHX2 381/4885LOXL2 305/4885ABCB1 369/4885

“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.