SCHEMBL6539639

SCHEMBL6539639

CCCCOC(=O)NCCC=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.62
EPHX2 P34913 2/20 0.51

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
SCHEMBL5703710 0.91 ACHE (0.66) ACHEEPHX2
SCHEMBL10772425 0.90 ACHE (0.64) ACHEEPHX2
SCHEMBL7351535 0.89 ACHE (0.55) ACHEEPHX2
SCHEMBL7440478 0.88 ACHE (0.67) ACHEEPHX2
SCHEMBL8811962 0.88 ACHE (0.67) ACHEEPHX2
SCHEMBL4756402 0.87 ACHE (0.69) ACHEEPHX2
SCHEMBL7351683 0.85 ACHE (0.67) ACHEEPHX2
SCHEMBL14138634 0.84 ACHE (0.65) ACHEEPHX2
SCHEMBL7349927 0.83 ACHE (0.70) ACHEEPHX2
SCHEMBL10927317 0.83 ACHE (0.59) ACHEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 US disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 WO disclosed
EP-1989193-B1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS ESTEVE LABOR DR (ES) 2011-06-22 EP disclosed
US-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-01 US disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
EP-1220840-A2 BICYCLIC AND TRICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2002-07-10 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
WO-2001029000-A2 BICYCLIC AND TRICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-26 WO disclosed
WO-1999005141-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 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 (3 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM ACHE 3437/4885EPHX2 3366/4885
US-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS HTR4, OPRM1, SLC6A4 ACHE 297/4885EPHX2 840/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ACHE 488/4885EPHX2 1899/4885

“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.