SCHEMBL4206402

SCHEMBL4206402

CC(C)(C)OC(=O)C1(C(=O)O)CCCC1N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.32
DGAT1 O75907 1/20 0.32
KDM1A O60341 2/20 0.31

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
SCHEMBL14857889 1.00 BTK (0.32) BTKDGAT1KDM1A
SCHEMBL12987712 1.00 BTK (0.32) BTKDGAT1KDM1A
SCHEMBL4197528 0.95 BTK (0.31) BTKDGAT1KDM1A
SCHEMBL2557566 0.95 BTK (0.31) BTKDGAT1KDM1A
SCHEMBL4206000 0.95 BTK (0.31) BTKDGAT1KDM1A
SCHEMBL12987233 0.95 BTK (0.31) BTKDGAT1KDM1A
SCHEMBL2561559 0.95 BTK (0.31) BTKDGAT1KDM1A
SCHEMBL27508813 0.90 DGAT1 (0.33) BTKDGAT1KDM1A
SCHEMBL27905691 0.86 DGAT1 (0.33) BTKDGAT1KDM1A
SCHEMBL4831767 0.83 DGAT1 (0.31) BTKDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819999-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Novartis AG (CH) 2015-01-07 EP disclosed
CN-101723937-B Imidazol-4-one and imidazole-4-thione compounds NAT HEALTH RESEARCH INSTITUTES 2014-11-19 CN disclosed
WO-2013128421-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-09-06 WO disclosed
CN-102906095-A Pyrrolopyrazine derivatives as SYK and JAK inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
CN-102803204-A Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD COLORADO INC 2012-11-28 CN disclosed
CN-102076662-A Alpha-mercapto-amides NOVARTIS AG 2011-05-25 CN disclosed
CN-101723937-A imidazol-4-one and imidazole-4-thione compounds NAT HEALTH RESEARCH INSTITUTES 2010-06-09 CN disclosed
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
CN-101155803-A Method for obtaining a pharmaceutically active compound (irbesartan) and its synthesis intermediate INKE SA (ES) 2008-04-02 CN disclosed
CN-101044116-A 4-phenylsulfonamidopiperidines as calcium channel blockers EURO CELTIQUE SA (LU) 2007-09-26 CN disclosed
CN-1950369-A Novel benzothiazoles and the use thereof as medicaments AVENTIS PHARMA SA (FR) 2007-04-18 CN disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
CN-1317968-A 2-bustituted-1-piperidyl benzimidazole compounds as or/1-receptor agonists PFIZER PHARMA (US) 2001-10-17 CN disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 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 (1 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R BTK 4801/4885DGAT1 4883/4885KDM1A 368/4885

“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.