SCHEMBL3615550

SCHEMBL3615550

CC(C)CNC(=O)CC1(C(C(N)=O)C2C3CC4CC(C3)CC2C4)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.56
EPHX2 P34913 8/20 0.43
EPHX1 P07099 2/20 0.32
RECQL P46063 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL3620866 0.81 HSD11B1 (0.54) HSD11B1EPHX2EPHX1
SCHEMBL3617941 0.78 HSD11B1 (0.60) HSD11B1
SCHEMBL3610781 0.76 HSD11B1 (0.58) HSD11B1
SCHEMBL3618286 0.75 HSD11B1 (0.59) HSD11B1EPHX2
SCHEMBL3607805 0.75 HSD11B1 (0.61) HSD11B1RECQL
SCHEMBL3620388 0.73 HSD11B1 (0.61) HSD11B1EPHX2
SCHEMBL3616504 0.72 EPHX2 (0.43) EPHX2
SCHEMBL2044064 0.72 HSD11B1 (1.00) HSD11B1EPHX2
SCHEMBL30165703 0.71 EPHX2 (0.54) HSD11B1EPHX2EPHX1RECQLCTSD
SCHEMBL2020425 0.65 HSD11B1 (0.74) HSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094263-B1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2013-10-16 EP claimed
US-8183265-B2 2-adamantyl-butyramide derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GMBH (DE) 2012-05-22 US claimed
US-20100022597-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2094263-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS Merck Patent GmbH (DE) 2009-09-02 EP claimed
WO-2008074384-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11βETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2008-06-26 WO claimed
EP-2094263-B1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2013-10-16 EP disclosed
US-8183265-B2 2-adamantyl-butyramide derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GMBH (DE) 2012-05-22 US disclosed
US-20100022597-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
EP-1935420-A1 2-Adamantyl-butyramide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-06-25 EP 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-20100022597-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, CYP11B1 HSD11B1 1/4885EPHX2 952/4885EPHX1 492/4885

“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.