SCHEMBL4099352

SCHEMBL4099352

O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.70
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.62
DPP4 P27487 2/20 0.58
ALDH1A1 P00352 3/20 0.58
CNR2 P34972 1/20 0.55
HSD11B1 P28845 2/20 0.55
EPHX1 P07099 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4100281 0.98 EPHX2 (0.72) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL4037018 0.84 EPHX2 (0.73) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL4037025 0.82 EPHX2 (1.00) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL4106627 0.79 EPHX2 (0.57) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL4015835 0.77 EPHX2 (0.76) EPHX2EPHX1
SCHEMBL12884438 0.77 EPHX2 (0.63) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL28395057 0.77 EPHX2 (0.67) EPHX2MEN1KMT2A
SCHEMBL13873302 0.77 EPHX2 (0.55) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL12488450 0.76 EPHX2 (0.58) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL12884477 0.76 EPHX2 (0.54) EPHX2MEN1KMT2AHTTLMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960352-B1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2013-08-07 EP claimed
US-8466200-B2 2-adamantylurea derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GMBH (DE) 2013-06-18 US claimed
US-20120172396-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-05 US claimed
US-8188288-B2 2-adamantylurea derivatives as selective 11beta-HSD1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-29 US claimed
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-09-10 US claimed
EP-1960352-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS Merck Patent GmbH (DE) 2008-08-27 EP claimed
EP-1801098-A1 2-Adamantylurea derivatives as selective 11B-HSD1 inhibitors Merck Sante (FR) 2007-06-27 EP claimed
WO-2007068330-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11β-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2007-06-21 WO claimed
EP-1960352-B1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2013-08-07 EP disclosed
US-8466200-B2 2-adamantylurea derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-20120172396-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-05 US disclosed
US-8188288-B2 2-adamantylurea derivatives as selective 11beta-HSD1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-29 US disclosed
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-09-10 US disclosed
EP-1960352-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS Merck Patent GmbH (DE) 2008-08-27 EP disclosed
EP-1801098-A1 2-Adamantylurea derivatives as selective 11B-HSD1 inhibitors Merck Sante (FR) 2007-06-27 EP disclosed
WO-2007068330-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11β-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2007-06-21 WO 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-20120172396-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 EPHX2 597/4885MEN1 1029/4885KMT2A 3448/4885
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 EPHX2 503/4885MEN1 996/4885KMT2A 3706/4885

“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.