SCHEMBL3620374

SCHEMBL3620374

CC(C)(CC(=O)O)CC(=O)NC1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.61
ALDH1A1 P00352 2/20 0.43
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.38
EPHX1 P07099 2/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37

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 0.92 HSD11B1 (0.69) HSD11B1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL5327904 0.91 ALDH1A1 (0.56) HSD11B1ALDH1A1HPGDNPSR1KMT2A
SCHEMBL13544829 0.85 HSD11B1 (0.61) HSD11B1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL21884192 0.82 HSD11B1 (0.58) HSD11B1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL23518575 0.79 HSD11B1 (0.54) HSD11B1ALDH1A1HPGDNPSR1KMT2A
SCHEMBL23518502 0.79 HSD11B1 (0.54) HSD11B1ALDH1A1HPGDNPSR1KMT2A
SCHEMBL1515374 0.79 HSD11B1 (0.54) HSD11B1ALDH1A1HPGDNPSR1KMT2A
SCHEMBL13544504 0.78 HSD11B1 (0.50) HSD11B1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL3623686 0.76 HSD11B1 (1.00) HSD11B1KMT2AEPHX2EPHX1
SCHEMBL12478049 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDNPSR1KMT2A

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 13 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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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 1/4885ALDH1A1 202/4885HPGD 63/4885

“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.