SCHEMBL7953244

SCHEMBL7953244

FC(F)(F)c1ccnc(N2CC3CNCC(C3)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.59
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA7 P36544 1/20 0.43
ACACB O00763 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KARS1 Q15046 1/20 0.39
MAPT P10636 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
LCAT P04180 1/20 0.38

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
Formic Acid SCHEMBL1367510 0.93 ADRB1 (0.52) ADRB1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12143056 0.78 CHRNA4 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4471479 0.78 ADRB1 (0.59) ADRB1ACACBFFAR4KDM4ECYP2D6
SCHEMBL30478521 0.77 ADRB1 (0.59) ADRB1ACACBFFAR4MAPK1DPP4
SCHEMBL25154277 0.77 ADRB1 (0.59) ADRB1ACACBFFAR4MAPK1DPP4
SCHEMBL15282599 0.77 ADRB1 (0.58) ADRB1CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL30478554 0.76 ADRB1 (0.58) ADRB1ACACBFFAR4MAPK1DPP4
SCHEMBL1368091 0.76 CHRM4 (0.52) ADRB1FFAR4KDM4ECYP2D6L3MBTL1
SCHEMBL25154297 0.75 ADRB1 (0.56) ADRB1ACACBFFAR4KDM4ECYP2D6
SCHEMBL30567166 0.75 ADRB1 (1.00) ADRB1FFAR4KDM4ECYP2D6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 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 (7 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ADRB1 4042/4885CHRNB2 167/4885CHRNA4 144/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ADRB1 4293/4885CHRNB2 3238/4885CHRNA4 2654/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ADRB1 4042/4885CHRNB2 167/4885CHRNA4 144/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ADRB1 4105/4885CHRNB2 127/4885CHRNA4 129/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ADRB1 2238/4885CHRNB2 1822/4885CHRNA4 1272/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 ADRB1 4293/4885CHRNB2 3238/4885CHRNA4 2654/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ADRB1 2238/4885CHRNB2 1822/4885CHRNA4 1272/4885

“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.