SCHEMBL4113085

SCHEMBL4113085

CCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.74
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CNR2 P34972 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
MAPT P10636 1/20 0.56
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HSD11B1 P28845 1/20 0.51

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
SCHEMBL4106451 0.90 EPHX2 (0.70) EPHX2NPC1RAB9AMAPTPOLB
SCHEMBL4112732 0.85 EPHX2 (1.00) EPHX2NPC1RAB9AMAPTPOLB
SCHEMBL4109721 0.83 EPHX2 (0.64) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL19798748 0.80 EPHX2 (0.72) EPHX2NPC1RAB9A
SCHEMBL4111866 0.79 EPHX2 (0.70) EPHX2MAPTPOLBKMT2AMEN1
SCHEMBL4100398 0.78 EPHX2 (0.73) EPHX2NPC1RAB9AMAPTKMT2A
SCHEMBL4107207 0.78 EPHX2 (0.61) EPHX2NPC1RAB9AMAPTPOLB
SCHEMBL4010832 0.78 EPHX2 (0.68) EPHX2HSD11B1
SCHEMBL4112538 0.78 EPHX2 (0.73) EPHX2NPC1RAB9AMAPTKMT2A
SCHEMBL10576308 0.78 MAPT (0.86) NPC1RAB9AMAPTPOLBTDP1

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 597/4885NPC1 485/4885RAB9A 1908/4885
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 EPHX2 503/4885NPC1 625/4885RAB9A 1932/4885

“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.