SCHEMBL1029475

SCHEMBL1029475

C[C@@H](c1ccc(Br)cc1)N1C[C@@](CC(C)(C)O)(c2ccccc2)OC1=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.81
CYP2C9 P11712 12/20 0.81
CYP3A4 P08684 7/20 0.81
CYP2C19 P33261 5/20 0.62

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
SCHEMBL1905123 1.00 HSD11B1 (0.81) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL1024482 1.00 HSD11B1 (0.81) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL12670501 0.90 HSD11B1 (0.69) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117441 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL957301 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL992278 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL957734 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117440 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL992276 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL3201723 0.88 HSD11B1 (0.89) HSD11B1CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274287-B1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
EP-2274287-B1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 Vitae Pharmaceuticals ,Inc. 2011-05-05 US disclosed
US-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 Vitae Pharmaceuticals ,Inc. 2011-05-05 US disclosed
US-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 Vitae Pharmaceuticals ,Inc. 2011-05-05 US disclosed
EP-2274287-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2011002910-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
WO-2009117109-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-24 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-20110105504-A1 Inhibitors Of 11beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885CYP2C9 184/4885CYP3A4 187/4885
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD11B2 HSD11B1 1/4885CYP2C9 115/4885CYP3A4 136/4885

“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.