SCHEMBL3616504

SCHEMBL3616504

NC(=O)C(C1C2CC3CC(C2)CC1C3)C1(CC(=O)Nc2nccs2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.41
ACP1 P24666 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3610781 0.78 HSD11B1 (0.58) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL3607805 0.77 HSD11B1 (0.61) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL3616507 0.75 HSD11B1 (0.60) EPHX2HTTMEN1KMT2APOLB
SCHEMBL3618286 0.75 HSD11B1 (0.59) EPHX2ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL3620866 0.74 HSD11B1 (0.54) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL3620388 0.73 HSD11B1 (0.61) EPHX2HTTMEN1KMT2AALDH1A1
SCHEMBL3615550 0.72 HSD11B1 (0.56) EPHX2
SCHEMBL3617941 0.71 HSD11B1 (0.60) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL14347902 0.65 LMNA (0.69) EPHX2MEN1KMT2APOLBALDH1A1
SCHEMBL17993532 0.64 ACP1 (0.61) EPHX2MEN1KMT2APOLBACP1

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 EPHX2 952/4885HTT 2876/4885MEN1 1208/4885

“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.