SCHEMBL958980

SCHEMBL958980

C=CCC(O)(CCN[C@H]1CCCN(C(=O)O)C1C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A1 P30531 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
HCRTR2 O43614 1/20 0.33
DPP4 P27487 1/20 0.32
SLC6A11 P48066 1/20 0.32
CACNA1G O43497 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3645786 0.78 GFER (0.39) SMN1; SMN2ALDH1A1SLC6A1KMT2A
SCHEMBL959817 0.74 USP30 (0.45)
SCHEMBL20986580 0.69 LMNA (0.35) SMN1; SMN2ALDH1A1DPP4KDM4E
SCHEMBL13953692 0.69 CHEK1 (0.36) SSTR3
SCHEMBL6422872 0.67 LMNA (0.36) SMN1; SMN2DPP4
SCHEMBL7018182 0.67 LMNA (0.36) SMN1; SMN2DPP4
SCHEMBL2467671 0.66 DPP4 (0.50) ALDH1A1DPP4KDM4E
SCHEMBL958027 0.66 CHRM4 (0.40) ALDH1A1KDM4E
SCHEMBL2220706 0.65 RAB9A (0.38) HCRTR2DPP4KDM4E
SCHEMBL20986906 0.65 PREP (0.50) SMN1; SMN2ALDH1A1KMT2ADPP4KDM4E

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 10 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
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-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-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 SSTR3 3963/4885SMN1; SMN2 2797/4885ALDH1A1 93/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 SSTR3 3329/4885SMN1; SMN2 3642/4885ALDH1A1 98/4885

“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.