SCHEMBL1399723

SCHEMBL1399723

COC(=O)C[C@H]1CC[C@H](c2ccc(NC(=O)C(=O)OC)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
DGAT1 O75907 9/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SOAT1 P35610 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.39
SOAT2 O75908 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13009439 0.90 IDO1 (0.47) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL3543032 0.90 IDO1 (0.50) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL3543034 0.90 IDO1 (0.50) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL13008026 0.87 KDM4E (0.46) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL14199019 0.87 KDM4E (0.46) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL13061618 0.86 IDO1 (0.44) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL1399684 0.82 HDAC3 (0.40) IDO1HDAC3HDAC11HDAC8HDAC6
SCHEMBL13755353 0.82 HDAC3 (0.40) IDO1DGAT1HDAC3HDAC11HDAC8
SCHEMBL1399682 0.82 HDAC3 (0.40) IDO1HDAC3HDAC11HDAC8HDAC6
SCHEMBL13009528 0.82 DGAT1 (0.40) IDO1DGAT1EPHX2ALDH1A1LMNA

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
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
EP-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP 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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
WO-2007144571-A1 CRYSTALLINE FORM OF (TRANS-4- [ ( { 5- [ (3, 4 -DI FLUOROPHENYL) AMINO] -1,3, 4-OXADIAZOL-2-YL}CARBONYL) AMINO] PH ENYL } CYCLOHEXYL) ACETIC ACID ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 IDO1 2690/4885DGAT1 1/4885HDAC3 256/4885
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 IDO1 2046/4885DGAT1 1/4885HDAC3 71/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IDO1 2567/4885DGAT1 1/4885HDAC3 187/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 IDO1 2912/4885DGAT1 3/4885HDAC3 559/4885

“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.