SCHEMBL157124

SCHEMBL157124

CC(C)(C)OC(=O)C1CC(=O)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.33
SCN9A Q15858 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN5A Q14524 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL15606427 0.90 MAPK1 (0.37) MAPK1GAANFKB1NFKB2RELA
SCHEMBL14882598 0.90 MAPK1 (0.37) MAPK1GAANFKB1NFKB2RELA
SCHEMBL16774516 0.80 MAPK1 (0.39) MAPK1THRBGAANFKB1NFKB2
SCHEMBL16774517 0.80 MAPK1 (0.39) MAPK1THRBGAANFKB1NFKB2
SCHEMBL3989009 0.79 KDM4E (0.40) MAPK1THRBGAA
SCHEMBL40093 0.78 NOS2 (0.39) SCN9ASCN3ASCN5A
SCHEMBL248746 0.78 NOS2 (0.39) SCN9ASCN3ASCN5A
SCHEMBL248747 0.78 NOS2 (0.39) SCN9ASCN3ASCN5A
SCHEMBL6433488 0.76 SCN9A (0.36) SCN9ASCN3ASCN5AGAA
SCHEMBL926731 0.76 SCN9A (0.36) SCN9ASCN3ASCN5AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611298-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-07-10 EP disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
WO-2012031024-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-03-08 WO disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP disclosed
WO-1997043292-A1 NEW THIAZOLOPYRIDINES KLINGE PHARMA GMBH (DE) 1997-11-20 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 (1 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 MAPK1 1200/4885THRB 1094/4885SCN9A 3845/4885

“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.