SCHEMBL956652

SCHEMBL956652

COC(=O)N(CCC(O)(CC(C)(C)O)c1ccccc1)[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNN4 O15554 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
PMP22 Q01453 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL10066610 0.90 BCHE (0.33) SMN1; SMN2ALOX5CYP3A4CYP2C9HSD11B1
SCHEMBL958625 0.90 UTS2R (0.38)
SCHEMBL15163671 0.90 UTS2R (0.38)
SCHEMBL15163670 0.90 UTS2R (0.38)
SCHEMBL9955946 0.89 ALOX5 (0.36) SMN1; SMN2ALOX5CYP3A4CYP2C9HSD11B1
SCHEMBL15674404 0.89 ALOX5 (0.36) SMN1; SMN2ALOX5CYP3A4CYP2C9HSD11B1
SCHEMBL958964 0.88 KMT2A (0.36) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL735527 0.88 SMN1; SMN2 (0.34) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL116410 0.88 SMN1; SMN2 (0.34) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL3670614 0.81 CYP2C19 (0.37) SMN1; SMN2ALOX5ALDH1A1L3MBTL1CHRM2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324017-B1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-12-31 EP disclosed
EP-2324017-B1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-12-31 EP disclosed
US-8846668-B2 Inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846668-B2 Inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846668-B2 Inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8637505-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-8637505-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-8637505-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20110312950-A1 CYCLIC INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312950-A1 CYCLIC INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312950-A1 CYCLIC INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2393807-A1 CYCLIC INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2011-12-14 EP disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
WO-2010089303-A1 CYCLIC INHIBITORS OF 11 β-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 WO disclosed
WO-2010089303-A1 CYCLIC INHIBITORS OF 11 β-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 WO disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO 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 (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-20110312950-A1 CYCLIC INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 2968/4885ALOX5 1144/4885CYP3A4 185/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 3642/4885ALOX5 1148/4885CYP3A4 272/4885

“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.