SCHEMBL1457503

SCHEMBL1457503

CC1CCNCC1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
GAA P10253 2/20 0.40
EPHX2 P34913 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 2/20 0.38
KDM1A O60341 2/20 0.38
SSTR4 P31391 5/20 0.38
SSTR1 P30872 3/20 0.38
MAOB P27338 1/20 0.36

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
SCHEMBL1468726 1.00 BTK (0.41) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL22199265 1.00 BTK (0.41) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL1531695 1.00 BTK (0.41) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL1468729 1.00 BTK (0.41) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL30399342 0.89 BTK (0.42) BTKGAANFKB1NFKB2RELA
SCHEMBL16095512 0.89 BTK (0.42) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL4365093 0.87 SSTR4 (0.49) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL4369929 0.87 SSTR4 (0.49) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL4365082 0.87 SSTR4 (0.49) BTKGAAEPHX2NFKB1NFKB2
SCHEMBL4369925 0.87 SSTR4 (0.49) BTKGAAEPHX2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751338-A Preparation method of (3S, 5S) -3- (tert-butoxycarbonylamino) -5-methylpiperidine 浙江弘流科技有限公司 2025-04-04 CN disclosed
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
EP-2990407-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-10-16 EP disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
US-9969727-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 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-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3419/4885GAA 325/4885EPHX2 1411/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3411/4885GAA 299/4885EPHX2 1300/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BTK 3411/4885GAA 299/4885EPHX2 1300/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 BTK 1369/4885GAA 1449/4885EPHX2 885/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3419/4885GAA 325/4885EPHX2 1411/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 BTK 2285/4885GAA 408/4885EPHX2 2923/4885

“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.