SCHEMBL3620376

SCHEMBL3620376

CC(C)(CC(=O)NC1CC1)CC(=O)OC1(N)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.49
SMYD3 Q9H7B4 1/20 0.38
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10132087 0.79 HSD11B1 (0.69) HSD11B1NPSR1HPGDKDM4EMEN1
SCHEMBL13544829 0.73 HSD11B1 (0.61) HSD11B1NPSR1HPGDKDM4EMEN1
SCHEMBL3620374 0.73 HSD11B1 (0.61) HSD11B1NPSR1HPGDKDM4EMEN1
SCHEMBL21884192 0.71 HSD11B1 (0.58) HSD11B1SMYD3NPSR1HPGDKDM4E
SCHEMBL23518575 0.69 HSD11B1 (0.54) HSD11B1NPSR1HPGDMEN1ALDH1A1
SCHEMBL1515374 0.69 HSD11B1 (0.54) HSD11B1NPSR1HPGDMEN1ALDH1A1
SCHEMBL23518502 0.69 HSD11B1 (0.54) HSD11B1NPSR1HPGDMEN1ALDH1A1
SCHEMBL3623689 0.67 HSD11B1 (0.61) HSD11B1EPHX2
SCHEMBL5327904 0.66 ALDH1A1 (0.56) HSD11B1NPSR1HPGDALDH1A1CYP2C19
SCHEMBL3623686 0.66 HSD11B1 (1.00) HSD11B1KMT2AEPHX2

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 11 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-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-1935420-A1 2-Adamantyl-butyramide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-06-25 EP 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-2094263-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS Merck Patent GmbH (DE) 2009-09-02 EP disclosed
WO-2008074384-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11βETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2008-06-26 WO 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 1/4885SMYD3 3534/4885NPSR1 984/4885

“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.