SCHEMBL959622

SCHEMBL959622

C[C@@H](c1ccc(Br)cc1)N1CCC(CC(=O)CO)(c2ccc(F)cc2)OC1=O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.81
KCNH2 Q12809 1/20 0.72
CYP3A4 P08684 7/20 0.72
CYP2C9 P11712 6/20 0.72
CYP2C19 P33261 4/20 0.65
HSD3B2 P26439 1/20 0.58

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
SCHEMBL959620 1.00 HSD11B1 (0.81) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL119693 0.90 HSD11B1 (0.84) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL119694 0.90 HSD11B1 (0.84) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL957331 0.90 HSD11B1 (0.84) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL116751 0.90 HSD11B1 (0.84) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL959940 0.89 HSD11B1 (1.00) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL959938 0.89 HSD11B1 (1.00) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL734464 0.88 HSD11B1 (0.79) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL116800 0.87 HSD11B1 (0.79) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL116801 0.87 HSD11B1 (0.79) HSD11B1KCNH2CYP3A4CYP2C9CYP2C19

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 HSD11B1 1/4885KCNH2 2978/4885CYP3A4 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.