SCHEMBL734968

SCHEMBL734968

C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCC(=O)O)(c2ccccc2)OC1=O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.72
CYP2C9 P11712 7/20 0.72
CYP3A4 P08684 7/20 0.72
KCNH2 Q12809 1/20 0.70
CYP2C19 P33261 3/20 0.66

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
SCHEMBL1403713 1.00 HSD11B1 (0.72) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL1403712 1.00 HSD11B1 (0.72) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL1403963 0.92 HSD11B1 (0.69) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL116407 0.92 HSD11B1 (0.82) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL1403965 0.92 HSD11B1 (0.69) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL116406 0.92 HSD11B1 (0.82) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL116408 0.92 HSD11B1 (0.82) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL13552238 0.91 HSD11B1 (0.67) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL957627 0.91 HSD11B1 (0.84) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19
SCHEMBL957629 0.91 HSD11B1 (0.84) HSD11B1CYP2C9CYP3A4KCNH2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 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
EP-2448928-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-8754076-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Vitae Pharmaceuticals, Inc./Boehringer-Ingelheim (DE) 2014-06-17 US disclosed
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-01-13 US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2010-10-07 US disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 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 (3 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-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885CYP2C9 315/4885CYP3A4 514/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885CYP2C9 307/4885CYP3A4 500/4885
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885CYP2C9 721/4885CYP3A4 526/4885

“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.