SCHEMBL957545

SCHEMBL957545

CC(=O)CCN(C(=O)OC(C)(C)C)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALOX5 P09917 1/20 0.38
MTOR P42345 1/20 0.38
CTSK P43235 3/20 0.37
CASR P41180 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
RIPK1 Q13546 2/20 0.36
CTSS P25774 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL957546 1.00 L3MBTL1 (0.39) L3MBTL1ALOX5MTORCTSKCASR
SCHEMBL24726844 0.86 ALOX5 (0.40) ALOX5MTORCTSKCASRGPR88
SCHEMBL956471 0.86 ALOX5 (0.41) L3MBTL1ALOX5
SCHEMBL956469 0.86 ALOX5 (0.41) L3MBTL1ALOX5
SCHEMBL14067608 0.84 GPR88 (0.45) L3MBTL1ALOX5MTORCTSKGPR88
SCHEMBL20741092 0.82 DAGLA (0.41) ALOX5MTORCTSKCASRRIPK1
SCHEMBL20741091 0.82 DAGLA (0.41) ALOX5MTORCTSKCASRRIPK1
SCHEMBL22327659 0.82 L3MBTL1 (0.43) L3MBTL1CTSKCTSS
SCHEMBL960788 0.81 ALOX5 (0.45) ALOX5MTORTRPM8
SCHEMBL13953680 0.81 SLC6A4 (0.39) L3MBTL1ALOX5MTORCTSKGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 L3MBTL1 4021/4885ALOX5 1148/4885MTOR 1487/4885

“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.