SCHEMBL958982

SCHEMBL958982

C=CCC(O)(CCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PARP1 P09874 1/20 0.42
ANO1 Q5XXA6 2/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
PBK Q96KB5 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GFER P55789 1/20 0.37
BRD3 Q15059 1/20 0.37
BRD4 O60885 1/20 0.37
DGAT2 Q96PD7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL959817 1.00 USP30 (0.45) USP30HDAC4HDAC6PARP1ANO1
SCHEMBL3645786 0.87 GFER (0.39) GFER
SCHEMBL1404214 0.79 USP30 (0.52) USP30HDAC4HDAC6PARP1ANO1
SCHEMBL1404215 0.79 USP30 (0.52) USP30HDAC4HDAC6PARP1ANO1
SCHEMBL17605154 0.77 USP30 (0.50) USP30HDAC4HDAC6PARP1GFER
SCHEMBL17605512 0.77 USP30 (0.50) USP30HDAC4HDAC6PARP1GFER
SCHEMBL17605153 0.77 USP30 (0.50) USP30HDAC4HDAC6PARP1GFER
SCHEMBL1439214 0.74 MEN1 (0.48) USP30HDAC4HDAC6PARP1ANO1
SCHEMBL9937183 0.74 MEN1 (0.48) USP30HDAC4HDAC6PARP1ANO1
SCHEMBL958980 0.74 SSTR3 (0.42)

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
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-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
EP-2291373-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2013-09-11 EP disclosed
EP-2291373-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2013-09-11 EP disclosed
US-8242111-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242111-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20110124635-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124635-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2291373-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-2009134384-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134384-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

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-20110124635-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 USP30 1339/4885HDAC4 1058/4885HDAC6 1130/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 USP30 2617/4885HDAC4 956/4885HDAC6 1011/4885

“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.