Sugi Predict

Sugi Predict / Compounds / SCHEMBL5044295

SCHEMBL5044295

SCHEMBL5044295

CN[C@H]1CC[C@@](C)(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.38
▸ ACHE P22303 1/20 0.31
▸ CHRNB2 P17787 4/20 0.31
▸ CHRNB4 P30926 4/20 0.31
▸ CHRNA3 P32297 4/20 0.31
▸ CHRNA7 P36544 4/20 0.31
▸ CHRNA4 P43681 4/20 0.31
▸ CHRNA1 P02708 3/20 0.31
▸ CHRNG P07510 3/20 0.31
▸ CHRNB1 P11230 3/20 0.31
▸ CHRND Q07001 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ CHRNE Q04844 1/20 0.31
▸ CHRNA2 Q15822 1/20 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
SCHEMBL2596586 1.00 ESR2 (0.38) ESR2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL2596585 1.00 ESR2 (0.38) ESR2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL26701336 0.85 — —
SCHEMBL26701338 0.85 — —
SCHEMBL25782510 0.85 — —
SCHEMBL26701334 0.85 — —
SCHEMBL26701341 0.85 — —
SCHEMBL2593362 0.79 ESR2 (0.38) ESR2
SCHEMBL7818441 0.78 EPHX2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20940060 0.77 ESR2 (0.36) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247496-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. (US) 2020-12-10 — — WO disclosed
EP-3365341-B1 6-[5-AMINO-6-(2-ETHOXYETHOXY)-IMIDAZO[4,5-B]PYRIDIN-3-YL]-NICOTINONITRILE DERIVATIVES AND THEIR USE AS IRAK INHIBITORS GALAPAGOS NV (BE) 2020-05-13 — — EP disclosed
US-10508111-B2 6-[5-amino-6-(2-ethoxyethoxy)-imidazo[4,5-B]pyridin-3-yl]-nicotinonitrile derivatives and their use as IRAK inhibitors GALAPAGOS NV (BE) 2019-12-17 — — US disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
WO-2017067848-A1 6-[5-AMINO-6-(2-ETHOXYETHOXY)-IMIDAZO[4,5-B]PYRIDIN-3-YL]-NICOTINONITRILE DERIVATIVES AND THEIR USE AS IRAK INHIBITORS GALAPAGOS NV (BE) 2017-04-27 — — WO disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
EP-2344449-B1 ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2015-05-13 — — EP disclosed
US-7285548-B2 Urea substituted benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-10-23 — — US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
EP-1615919-B1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-22 — — EP disclosed
EP-1633355-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-03-15 — — EP disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 — — US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — US disclosed
WO-2004105755-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 — — WO disclosed
WO-2004105755-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 — — WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — US disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 — — 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 (7 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ESR2 1631/4885ACHE 2859/4885CHRNB2 4014/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 ESR2 1319/4885ACHE 2830/4885CHRNB2 3831/4885
US-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ESR2 620/4885ACHE 512/4885CHRNB2 65/4885
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 ESR2 589/4885ACHE 3380/4885CHRNB2 381/4885
US-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 ESR2 331/4885ACHE 392/4885CHRNB2 59/4885
US-10508111-B2 6-[5-amino-6-(2-ethoxyethoxy)-imidazo[4,5-B]pyridin-3-yl]-nicotinonitrile derivatives and their use as IRAK inhibitors IRAK1, IRAK2, IRAK3 ESR2 2316/4885ACHE 2353/4885CHRNB2 1782/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ESR2 1631/4885ACHE 2859/4885CHRNB2 4014/4885

“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.