SCHEMBL1176207

SCHEMBL1176207

CC(C)(C)OC(=O)/C=C/c1ccc2c(c1)C(=O)NC1(CCN(Cc3ccccc3)CC1)N2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.50
HDAC4 P56524 12/20 0.50
HDAC1 Q13547 12/20 0.50
HDAC7 Q8WUI4 12/20 0.50
HDAC2 Q92769 12/20 0.50
HDAC10 Q969S8 12/20 0.50
HDAC11 Q96DB2 12/20 0.50
HDAC8 Q9BY41 12/20 0.50
HDAC6 Q9UBN7 12/20 0.50
HDAC9 Q9UKV0 12/20 0.50
HDAC5 Q9UQL6 12/20 0.50
KCNH2 Q12809 1/20 0.43
ACHE P22303 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GPR183 P32249 1/20 0.39

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
SCHEMBL1176209 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176548 0.87 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176549 0.87 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175151 0.84 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175156 0.84 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176123 0.78 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176128 0.78 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176535 0.74 KDM4E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175556 0.73 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175559 0.73 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115148-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2015-08-25 US disclosed
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2014-03-20 US disclosed
US-8592444-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2013-11-26 US disclosed
EP-2279187-B9 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-12-12 EP disclosed
EP-2279187-B1 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-04-25 EP disclosed
US-20110039840-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2011-02-17 US disclosed
EP-2279187-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2011-02-02 EP disclosed
WO-2009127609-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-10-22 WO disclosed
EP-2110377-A1 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.r.l. (IT) 2009-10-21 EP 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-20110039840-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 HDAC3 4/4885HDAC4 10/4885HDAC1 5/4885
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 HDAC3 4/4885HDAC4 10/4885HDAC1 5/4885

“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.