Sugi Predict

Sugi Predict / Compounds / SCHEMBL4106263

SCHEMBL4106263

SCHEMBL4106263

O=C=NCc1ccccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ SLC6A2 P23975 6/20 0.40
▸ SLC6A3 Q01959 6/20 0.40
▸ SLC6A4 P31645 5/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ DRD2 P14416 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 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
SCHEMBL1548220 0.80 SLC6A4 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL30447174 0.80 SLC6A4 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL5546601 0.77 HDAC3 (0.42) GRIN2BGRIN1SLC6A2SLC6A3SLC6A4
SCHEMBL1205405 0.77 HTT (0.49) GRIN2BGRIN1
SCHEMBL18901319 0.77 GRIN2B (0.50) GRIN2BGRIN1SLC6A2SLC6A3SLC6A4
SCHEMBL29364508 0.75 GABRA1 (0.41) —
SCHEMBL127043 0.75 GABRA1 (0.41) —
SCHEMBL8884532 0.75 GRIN2B (0.38) GRIN2BGRIN1SLC6A2SLC6A3SLC6A4
SCHEMBL1953700 0.75 L3MBTL1 (0.54) GRIN2BGRIN1SLC6A2SLC6A3SLC6A4
SCHEMBL2090202 0.75 HDAC3 (0.40) GRIN2BGRIN1SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958516-B Azetidine compounds, compositions and they are as the purposes of the inhibitor of solvable Epoxide hydrolase 霍夫曼-拉罗奇有限公司 2016-08-24 — — CN disclosed
EP-2773644-B1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE HOFFMANN LA ROCHE (CH) 2016-05-04 — — EP disclosed
US-9139593-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2015-09-22 — — US disclosed
US-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFMANN-LA ROCHE AG (CH) 2014-10-30 — — US disclosed
EP-2773644-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 — — EP disclosed
US-8809552-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
WO-2013064467-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 — — WO disclosed
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN-LA ROCHE INC. (US) 2013-05-02 — — US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 — — EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — WO disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 — — EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 — — US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 — — EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 — — 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 GRIN2B 3659/4885GRIN1 3298/4885SLC6A2 3656/4885
US-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE EPHX1, EPHX2, HRH2 GRIN2B 1651/4885GRIN1 2523/4885SLC6A2 566/4885
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 GRIN2B 740/4885GRIN1 453/4885SLC6A2 1666/4885
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE EPHX1, EPHX2, HRH2 GRIN2B 1651/4885GRIN1 2523/4885SLC6A2 566/4885

“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.