SCHEMBL4108117

SCHEMBL4108117

C[C@H]1CCCN(C(=O)NC2C3CC4CC2CC(OC(=O)C(C)(C)C)(C4)C3)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.40
HSD11B2 P80365 1/20 0.37
EPHX2 P34913 1/20 0.36
POLB P06746 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4108122 1.00 HSD11B1 (0.40) HSD11B1HSD11B2EPHX2POLBALDH1A1
SCHEMBL4113314 0.88 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2POLBALDH1A1
SCHEMBL4113308 0.88 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2POLBALDH1A1
SCHEMBL4106538 0.84 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2POLBALDH1A1
SCHEMBL4106544 0.84 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2POLBALDH1A1
SCHEMBL4106624 0.77 HSD11B1 (0.65) HSD11B1EPHX2POLBALDH1A1LMNA
SCHEMBL12345922 0.69 CYP19A1 (0.41)
SCHEMBL13232360 0.68 CYP19A1 (0.50) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4106627 0.67 EPHX2 (0.57) EPHX2POLBALDH1A1LMNAHPGD
SCHEMBL3174558 0.67 HSD11B1 (0.44) HSD11B1EPHX2POLBALDH1A1LMNA

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-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
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
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 HSD11B1 1/4885HSD11B2 2/4885EPHX2 597/4885
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885HSD11B2 2/4885EPHX2 503/4885

“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.