SCHEMBL4101546

SCHEMBL4101546

O=C(Nc1ccccc1OC(F)F)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.64
KMT2A Q03164 2/20 0.56
P2RY1 P47900 1/20 0.53
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD11B1 P28845 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL4113222 0.83 EPHX2 (0.65) EPHX2KMT2AP2RY1SMN1; SMN2ALDH1A1
SCHEMBL4117709 0.81 EPHX2 (0.62) EPHX2KMT2AP2RY1SMN1; SMN2LMNA
SCHEMBL4108285 0.80 EPHX2 (0.61) EPHX2KMT2AP2RY1SMN1; SMN2LMNA
SCHEMBL4111866 0.77 EPHX2 (0.70) EPHX2KMT2AHTTSMN1; SMN2LMNA
SCHEMBL4109712 0.75 EPHX2 (0.69) EPHX2KMT2AP2RY1LMNAALDH1A1
SCHEMBL4112342 0.75 EPHX2 (0.68) EPHX2KMT2AP2RY1
SCHEMBL4117411 0.74 EPHX2 (0.64) EPHX2KMT2AP2RY1SMN1; SMN2ALDH1A1
SCHEMBL4111901 0.74 EPHX2 (0.67) EPHX2KMT2AP2RY1SMN1; SMN2LMNA
SCHEMBL19798433 0.74 EPHX2 (0.67) EPHX2KMT2AP2RY1SMN1; SMN2ALDH1A1
SCHEMBL1420825 0.72 EPHX2 (0.68) EPHX2KMT2ASMN1; SMN2RAB9A

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-1801098-A1 2-Adamantylurea derivatives as selective 11B-HSD1 inhibitors Merck Sante (FR) 2007-06-27 EP 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 597/4885KMT2A 3448/4885P2RY1 3650/4885
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 EPHX2 503/4885KMT2A 3706/4885P2RY1 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.