SCHEMBL1798438

SCHEMBL1798438

CC(=O)c1nc(CC(C)(C)C)ccc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
IKBKB O14920 2/20 0.33
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL1798635 0.74 PTPN1 (0.36) GRNSORT1EGFR
SCHEMBL718585 0.74 THRB (0.37) IKBKBALOX15MEN1ALDH1A1CYP1A2
SCHEMBL3645829 0.73 KDM4E (0.33) ESR1KDM4EUSP2ALDH1A1HPGD
SCHEMBL14458093 0.71 THRB (0.38) IKBKBALOX15KDM4EMEN1ALDH1A1
SCHEMBL12647208 0.70 GRM5 (0.53) IKBKBALOX15KDM4EMEN1USP2
SCHEMBL14458102 0.69 POLB (0.44) KDM4EMEN1ALDH1A1CYP1A2POLB
SCHEMBL721848 0.68 ALDH1A1 (0.42) IKBKBALOX15KDM4EMEN1ALDH1A1
SCHEMBL17706530 0.68 THRB (0.35) IKBKBALOX15KDM4EMEN1ALDH1A1
SCHEMBL4585202 0.65 CCR1 (0.50) ESR1GRNSORT1
SCHEMBL2076822 0.64 HTT (0.36) GRNSORT1ALOX15KDM4EMEN1

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 ESR1 811/4885GRN 694/4885SORT1 3499/4885
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP ESR1 442/4885GRN 1694/4885SORT1 2129/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 ESR1 811/4885GRN 694/4885SORT1 3499/4885
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP ESR1 206/4885GRN 1697/4885SORT1 3165/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ESR1 530/4885GRN 1340/4885SORT1 1997/4885
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ESR1 206/4885GRN 1697/4885SORT1 3165/4885

“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.