SCHEMBL652952

SCHEMBL652952

CC(C)(C)OC(=O)N1Cc2ccccc2C2(CCNCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
NR1H2 P55055 2/20 0.47
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
NAMPT P43490 4/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ESR2 Q92731 1/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
USP30 Q70CQ3 1/20 0.41
KDM1A O60341 3/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL30561535 0.91 MAPK1 (0.51) MAPK1NR1H2HDAC1HDAC8HDAC6
SCHEMBL8229719 0.89 MAPK1 (0.49) MAPK1NR1H2HDAC1HDAC8HDAC6
SCHEMBL17969880 0.87 MAPK1 (0.50) MAPK1NR1H2HDAC1HDAC8HDAC6
SCHEMBL1747820 0.82 HDAC1 (0.49) MAPK1NR1H2HDAC1HDAC8HDAC6
SCHEMBL7568469 0.82 NOTUM (0.50) MAPK1HDAC1HDAC6NAMPTDPP9
SCHEMBL653997 0.81 DPP9 (0.50) NAMPTDPP9DPP7
SCHEMBL30468410 0.80 ESR2 (0.51) MAPK1NR1H2HDAC1HDAC8HDAC6
SCHEMBL11929931 0.80 NR1H2 (0.56) MAPK1NR1H2HDAC1NAMPTESR2
SCHEMBL30561531 0.79 MAPK1 (0.51) MAPK1NR1H2HDAC1HDAC8HDAC6
SCHEMBL3782378 0.79 HDAC1 (0.50) MAPK1NR1H2HDAC1HDAC8HDAC6

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
EP-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
EP-2023924-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed
WO-2007136605-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007136605-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 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 (1 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-20090239849-A1 Aryl-Fused Spirocyclic Compounds HDAC1, BRDT, HDAC5 MAPK1 663/4885NR1H2 187/4885HDAC1 1/4885

“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.