SCHEMBL3620388

SCHEMBL3620388

COc1ccccc1NC(=O)CC1(C(C(N)=O)C2C3CC4CC(C3)CC2C4)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.61
KMT2A Q03164 2/20 0.52
P2RX7 Q99572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
RCE1 Q9Y256 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL3618286 0.83 HSD11B1 (0.59) HSD11B1SIGMAR1L3MBTL1ALDH1A1EPHX2
SCHEMBL3610781 0.81 HSD11B1 (0.58) HSD11B1KMT2AP2RX7SIGMAR1L3MBTL1
SCHEMBL3620390 0.76 HSD11B1 (1.00) HSD11B1KMT2AP2RX7L3MBTL1ALDH1A1
SCHEMBL3607805 0.75 HSD11B1 (0.61) HSD11B1KMT2AP2RX7ALDH1A1KDM4E
SCHEMBL3617941 0.74 HSD11B1 (0.60) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL3615550 0.73 HSD11B1 (0.56) HSD11B1EPHX2
SCHEMBL3616504 0.73 EPHX2 (0.43) KMT2AL3MBTL1ALDH1A1EPHX2MEN1
SCHEMBL3620866 0.72 HSD11B1 (0.54) HSD11B1KMT2AEPHX2MEN1
SCHEMBL2861451 0.68 L3MBTL1 (0.65) HSD11B1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL4113222 0.66 EPHX2 (0.65) HSD11B1KMT2AALDH1A1EPHX2MAPT

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 8 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-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-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 1/4885KMT2A 3212/4885P2RX7 4545/4885

“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.