SCHEMBL3607805

SCHEMBL3607805

NC(=O)C(C1C2CC3CC(C2)CC1C3)C1(CC(=O)NCc2ccccn2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.61
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.47
P2RX7 Q99572 1/20 0.46
HPGD P15428 3/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3616504 0.77 EPHX2 (0.43) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL3607807 0.76 HSD11B1 (1.00) HSD11B1GAAALDH1A1P2RX7HPGD
SCHEMBL3615550 0.75 HSD11B1 (0.56) HSD11B1RECQL
SCHEMBL3610781 0.74 HSD11B1 (0.58) HSD11B1GAAALDH1A1P2RX7MEN1
SCHEMBL3620866 0.72 HSD11B1 (0.54) HSD11B1MEN1KMT2A
SCHEMBL3321995 0.72 P2RX7 (0.74) HSD11B1GAAALDH1A1P2RX7HPGD
SCHEMBL27755035 0.66 SMN1; SMN2 (0.58) GAAALDH1A1HPGDRECQLMEN1
SCHEMBL14381154 0.66 SMN1; SMN2 (0.58) GAAALDH1A1HPGDRECQLMEN1
SCHEMBL13333014 0.65 HSD11B1 (0.76) HSD11B1ALDH1A1P2RX7HPGDRECQL
SCHEMBL1303744 0.64 SMN1; SMN2 (0.69) GAAALDH1A1HPGDRECQLMEN1

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.