SCHEMBL1367513

SCHEMBL1367513

O=COC12CNCC(CN(c3cc(C(F)(F)F)ccn3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.45
FFAR4 Q5NUL3 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
LCAT P04180 2/20 0.36
ACACB O00763 2/20 0.36
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 2/20 0.33
CCR2 P41597 2/20 0.33
FFAR1 O14842 1/20 0.33
CXCR3 P49682 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV1 Q8NER1 2/20 0.32

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 0.74 ADRB1 (0.52) ADRB1FFAR4HRH3LCATACACB
SCHEMBL7953244 0.73 ADRB1 (0.59) ADRB1FFAR4HRH3LCATACACB
SCHEMBL1367782 0.69 ADRB1 (0.40) ADRB1FFAR4HRH3LCATACACB
Hydrochloric Acid SCHEMBL30327773 0.65 ADRB1 (0.66) ADRB1FFAR4HRH3LCATDPP4
Tert-Butyl Formate SCHEMBL27852289 0.65 ADRB1 (0.54) ADRB1FFAR4HRH3ACACBPPARG
Hydrochloric Acid SCHEMBL30328167 0.64 ADRB1 (0.56) ADRB1FFAR4HRH3LCATACACB
SCHEMBL30567166 0.64 ADRB1 (1.00) ADRB1FFAR4HRH3MAPTKDM4E
SCHEMBL210342 0.64 ADRB1 (1.00) ADRB1FFAR4HRH3MAPTKDM4E
SCHEMBL4471479 0.64 ADRB1 (0.59) ADRB1FFAR4HRH3ACACBDPP4
SCHEMBL25154277 0.63 ADRB1 (0.59) ADRB1FFAR4HRH3LCATACACB

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 11 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
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
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US 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 4042/4885FFAR4 4300/4885HRH3 415/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ADRB1 4293/4885FFAR4 4443/4885HRH3 746/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ADRB1 4042/4885FFAR4 4300/4885HRH3 415/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ADRB1 4105/4885FFAR4 4225/4885HRH3 473/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ADRB1 2238/4885FFAR4 2637/4885HRH3 277/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 ADRB1 4293/4885FFAR4 4443/4885HRH3 746/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ADRB1 2238/4885FFAR4 2637/4885HRH3 277/4885

“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.