SCHEMBL3619639

SCHEMBL3619639

COc1ccc(-c2noc(CC3(CC(=O)NC4C5CC6CC(C5)CC4C6)CCCC3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.62
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3623713 0.90 HSD11B1 (0.54) HSD11B1ALDH1A1
SCHEMBL3621843 0.83 NPSR1 (0.48) HSD11B1
SCHEMBL3620712 0.80 HSD11B1 (0.64) HSD11B1ALDH1A1
SCHEMBL3620959 0.79 HSD11B1 (0.80) HSD11B1POLBLMNAATMHDAC1
SCHEMBL3621587 0.78 HSD11B1 (0.61) HSD11B1
SCHEMBL3618287 0.77 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL3618676 0.77 HSD11B1 (0.59) HSD11B1
SCHEMBL3623669 0.69 HSD11B1 (0.84) HSD11B1LMNAHDAC1ALDH1A1
SCHEMBL3621424 0.68 HSD11B1 (1.00) HSD11B1LMNAHDAC1ALDH1A1
SCHEMBL3620390 0.67 HSD11B1 (1.00) HSD11B1ALDH1A1

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 14 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
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 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-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-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 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 (2 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 1/4885POLB 1897/4885LMNA 3179/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE HSD11B1 153/4885POLB 1856/4885LMNA 4117/4885

“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.