SCHEMBL3607807

SCHEMBL3607807

O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 1.00
GAA P10253 1/20 0.66
ALDH1A1 P00352 2/20 0.50
P2RX7 Q99572 1/20 0.49
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3617943 0.78 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL3607805 0.76 HSD11B1 (0.61) HSD11B1GAAALDH1A1P2RX7HPGD
SCHEMBL3321995 0.75 P2RX7 (0.74) HSD11B1GAAALDH1A1P2RX7HPGD
SCHEMBL3616507 0.74 HSD11B1 (0.60) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL3620712 0.73 HSD11B1 (0.64) HSD11B1ALDH1A1HPGD
SCHEMBL3620390 0.73 HSD11B1 (1.00) HSD11B1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL3653957 0.73 HSD11B1 (1.00) HSD11B1
SCHEMBL3620868 0.72 HSD11B1 (1.00) HSD11B1KMT2A
SCHEMBL4685499 0.72 HSD11B1 (0.97) HSD11B1ALDH1A1
SCHEMBL2044064 0.72 HSD11B1 (1.00) HSD11B1

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 1/4885GAA 874/4885ALDH1A1 202/4885

“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.