SCHEMBL1795694

SCHEMBL1795694

COCOc1ccc(CC(C)(C)F)nc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
FYN P06241 2/20 0.31
KCNH2 Q12809 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
CBFB Q13951 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL3644544 0.93 PPARG (0.33) PPARGPPARACYP4F2CYP4A11FYN
SCHEMBL1799455 0.87 PPARG (0.34) PPARGPPARACYP4F2CYP4A11FYN
SCHEMBL1799643 0.84 PPARG (0.35) PPARGPPARACYP4F2CYP4A11FYN
SCHEMBL5132892 0.78 PPARG (0.35) PPARGPPARA
SCHEMBL12057944 0.78 PIK3CD (0.38) FYNHRH3MBOAT4
SCHEMBL12036823 0.78 FYN (0.34) FYNHRH3
SCHEMBL12036832 0.76 FYN (0.40) FYNCBFBHRH3
SCHEMBL29987089 0.75 PREP (0.36) PPARGPPARAHDAC1HDAC6HDAC5
SCHEMBL15968422 0.75 PREP (0.36) PPARGPPARAHDAC1HDAC6HDAC5
SCHEMBL10239026 0.75 MCHR1 (0.35) FYNHRH3

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-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
EP-2167471-B1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-16 EP disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-21 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8173810-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-05-08 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-16 US disclosed
US-7803809-B2 Substituted pyrano [2,3-b] pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-09-28 US disclosed
US-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-05-13 US disclosed
EP-2167471-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2010-03-31 EP disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO disclosed
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-02-05 US disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 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 (6 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-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use BACE1, APP, BACE2 PPARG 1648/4885PPARA 1525/4885CYP4F2 1519/4885
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP PPARG 3522/4885PPARA 2943/4885CYP4F2 1741/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 PPARG 1648/4885PPARA 1525/4885CYP4F2 1519/4885
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP PPARG 3603/4885PPARA 2941/4885CYP4F2 2726/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PPARG 3647/4885PPARA 3036/4885CYP4F2 2645/4885
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PPARG 3603/4885PPARA 2941/4885CYP4F2 2726/4885

“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.