SCHEMBL936619

SCHEMBL936619

O=C(O)COCCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
TSHR P16473 2/20 0.35
CTH P32929 1/20 0.35
CBS P35520 1/20 0.35
THPO P40225 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
EPHX2 P34913 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
SCHEMBL27297810 0.86 CES2 (0.41) CES2TSHRCTHCBSTHPO
SCHEMBL3974164 0.79 LMNA (0.35) TSHRHDAC1HDAC2
SCHEMBL9969950 0.79 CES2 (0.47) CES2
SCHEMBL12516790 0.79 CES2 (0.38) CES2
SCHEMBL7939677 0.79 THRB (0.35) CES2TSHRCTHCBSTHPO
SCHEMBL5346541 0.77 ALDH1A1 (0.38) CES2TSHRCTHCBSTHPO
SCHEMBL4853751 0.77 ALDH1A1 (0.38) CES2TSHRCTHCBSTHPO
SCHEMBL5355131 0.77 ALDH1A1 (0.38) CES2TSHRCTHCBSTHPO
SCHEMBL5375976 0.77 THRB (0.39) CES2TSHRSMN1; SMN2THRB
SCHEMBL19049755 0.77 THRB (0.39) CES2TSHRSMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 EP disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
US-9790230-B2 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
EP-3174886-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-06-07 EP disclosed
US-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-18 US disclosed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
WO-2016015333-A1 2-OXA-5-AZABICYCLO [2.2.1] HEPTAN-3-YL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed
WO-2016016292-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7754711-B2 Antidiabetic agents; disease of glucose tolerance; insulin resistance; obesity; dyslipidemia; metabolic disorders; liver disorders XENON PHARMACEUTICALS INC. (CA) 2010-07-13 US disclosed
WO-2009106991-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-09-03 WO disclosed
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-11-13 US disclosed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US disclosed
EP-1851205-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-11-07 EP disclosed
WO-2006086447-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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 (4 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-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HCRTR2, HCRTR1, CYP11B2 CES2 170/4885TSHR 802/4885CTH 3598/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 CES2 2558/4885TSHR 697/4885CTH 3528/4885
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 CES2 2305/4885TSHR 816/4885CTH 3568/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 CES2 2517/4885TSHR 693/4885CTH 3557/4885

“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.