SCHEMBL960053

SCHEMBL960053

CN(C)C(=O)c1cnc(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 1/20 0.37
OGA O60502 4/20 0.36
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL15575294 0.82 CLK1 (0.43) HCAR2NPC1SMN1; SMN2HPGDRAB9A
SCHEMBL9608839 0.80 HCAR2 (0.62) LMNAHCAR2NPC1SMN1; SMN2HPGD
SCHEMBL2570942 0.79 ALDH1A1 (0.42) LMNAHCAR2NPC1SMN1; SMN2HPGD
SCHEMBL2564171 0.79 CSNK2A2 (0.43) LMNAPDK1PDK2PDK3PDK4
SCHEMBL15921055 0.78 ALDH1A1 (0.44) LMNAHCAR2NPC1SMN1; SMN2HPGD
SCHEMBL7264199 0.78 HCAR2 (0.37) LMNAHCAR2NPC1SMN1; SMN2HPGD
SCHEMBL854956 0.77
SCHEMBL15490589 0.77 HSD17B1 (0.48) LMNAPDK1PDK2PDK3PDK4
SCHEMBL999245 0.77 HSD17B1 (0.51) LMNANPC1SMN1; SMN2HPGDRAB9A
SCHEMBL24415622 0.76 HDAC3 (0.36) LMNAHCAR2NPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
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-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP 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-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-4411899-A Substituted derivatives of amino alkane diols as gastric secretion inhibitors MERCK & CO., INC. (US) 1983-10-25 US disclosed
EP-0082376-A2 Substituted derivatives of amino alkane diols as gastric secretion inhibitors MERCK & CO. INC. (US) 1983-06-29 EP disclosed
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 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 (2 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 LMNA 3796/4885HCAR2 3223/4885PDK1 354/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 LMNA 2828/4885HCAR2 1367/4885PDK1 157/4885

“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.