SCHEMBL4113222

SCHEMBL4113222

COc1ccccc1NC(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.65
HSD11B1 P28845 1/20 0.64
P2RY1 P47900 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
POLB P06746 3/20 0.54
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4108285 0.86 EPHX2 (0.61) EPHX2HSD11B1P2RY1POLBALDH1A1
SCHEMBL4109109 0.84 EPHX2 (0.68) EPHX2TAS1R3TAS1R1POLBALDH1A1
SCHEMBL4117709 0.84 EPHX2 (0.62) EPHX2HSD11B1P2RY1POLBALDH1A1
SCHEMBL4101197 0.83 EPHX2 (0.67) EPHX2POLBALDH1A1KMT2AMAPT
SCHEMBL4101546 0.83 EPHX2 (0.64) EPHX2HSD11B1P2RY1ALDH1A1KMT2A
SCHEMBL4117411 0.83 EPHX2 (0.64) EPHX2P2RY1ALDH1A1KMT2AMAPT
SCHEMBL4099331 0.82 KMT2A (0.63) EPHX2POLBALDH1A1KMT2AMAPT
SCHEMBL4111901 0.80 EPHX2 (0.67) EPHX2P2RY1POLBALDH1A1KMT2A
SCHEMBL4107987 0.79 EPHX2 (0.57) EPHX2POLBALDH1A1KMT2AMAPT
SCHEMBL3620390 0.78 HSD11B1 (1.00) EPHX2HSD11B1ALDH1A1KMT2A

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 597/4885HSD11B1 1/4885P2RY1 3650/4885
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 EPHX2 503/4885HSD11B1 1/4885P2RY1 3661/4885

“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.