SCHEMBL2965865

SCHEMBL2965865

CCOC(=O)c1cnn(COCC[Si](C)(C)C)c(=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
DGAT1 O75907 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
NPC1 O15118 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
RAB9A P51151 2/20 0.36
PAX8 Q06710 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 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
SCHEMBL24723912 0.86 DGAT1 (0.35) DGAT1NPC1
SCHEMBL25017777 0.85 CYP2C9 (0.42) CYP2C9CYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL24723914 0.84 NPC1 (0.41) DGAT1ALDH1A1SMN1; SMN2NPC1S1PR4
SCHEMBL30908132 0.82 DGAT1 (0.39) CYP2C9CYP2C19DGAT1ALDH1A1SMN1; SMN2
SCHEMBL2965634 0.81 NPC1 (0.39) DGAT1ALDH1A1CA1CA2NPC1
SCHEMBL26915876 0.81 NPC1 (0.36) DGAT1NPC1L3MBTL1
SCHEMBL28753181 0.80 RAB9A (0.41) DGAT1ALDH1A1CA12CA1CA2
SCHEMBL29627173 0.80 RAB9A (0.41) DGAT1ALDH1A1CA12CA1CA2
SCHEMBL2960376 0.80 CA12 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL15726275 0.80 DGAT1 (0.38) CYP2C9CYP2C19DGAT1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-11578066-B1 Fluoroalkyl-oxadiazoles and uses thereof TENAYA THERAPEUTICS, INC. (US) 2023-02-14 US disclosed
EP-4076448-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-114980887-A Fluoroalkyl-oxadiazoles and their use 特纳亚治疗股份有限公司 2022-08-30 CN disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
EP-2079730-A1 MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-07-22 EP disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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 (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-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 CYP2C9 830/4885CYP2C19 607/4885DGAT1 4146/4885
US-11578066-B1 Fluoroalkyl-oxadiazoles and uses thereof HDAC6, HDAC1, HDAC3 CYP2C9 3897/4885CYP2C19 2927/4885DGAT1 825/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 CYP2C9 3920/4885CYP2C19 3904/4885DGAT1 1498/4885
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF HDAC6, HDAC1, HDAC3 CYP2C9 4517/4885CYP2C19 4139/4885DGAT1 797/4885

“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.