Sugi Predict

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SCHEMBL899642

SCHEMBL899642

O=C(O)CC1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD5 P21918 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ DGAT1 O75907 18/20 0.45
▸ SOAT1 P35610 2/20 0.44
▸ FAAH O00519 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42

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
SCHEMBL2258441 1.00 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17327306 0.88 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL383245 0.88 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL383244 0.88 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3392926 0.88 DRD2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22444698 0.85 DRD2 (0.57) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4334143 0.85 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16762854 0.85 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5531169 0.85 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3543540 0.85 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 — — EP disclosed
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 — — EP disclosed
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 — — EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 — — US disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 — — US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 — — EP disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 — — WO disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 — — WO disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 — — EP disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 — — US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — WO disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 — — WO disclosed
EP-2185567-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2010-05-19 — — EP disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
WO-2009016462-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-05 — — WO disclosed
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 — — US disclosed
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 — — WO disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — 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 (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-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CYP3A7, QDPR, DHFR DRD2 165/4885DRD1 139/4885DRD4 34/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DRD2 551/4885DRD1 512/4885DRD4 1130/4885
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 DRD2 427/4885DRD1 605/4885DRD4 866/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 DRD2 465/4885DRD1 583/4885DRD4 1465/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DRD2 880/4885DRD1 277/4885DRD4 883/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L DRD2 664/4885DRD1 881/4885DRD4 961/4885

“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.