SCHEMBL6320115

SCHEMBL6320115

CCOC(=O)C(C)(N)CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
CYP1A2 P05177 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 3/20 0.39
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL10449732 0.84 ALOX15 (0.44) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
SCHEMBL6591180 0.82 PKM (0.47) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
Hydrochloric Acid SCHEMBL28894511 0.82 ALOX15 (0.42) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
Hydrochloric Acid SCHEMBL23071292 0.80 PKM (0.46) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
SCHEMBL28797858 0.80 CYP4F2 (0.44) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
SCHEMBL6590939 0.80 ALOX15 (0.41) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
Hydrochloric Acid SCHEMBL23071291 0.80 PKM (0.46) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
SCHEMBL6589766 0.80 CYP4F2 (0.44) ALOX15CYP4F2CYP4A11CYP1A2ABCB11
SCHEMBL7198049 0.79 CYP1A2 (0.47) ALOX15CYP4F2CYP4A11CYP1A2PKM
SCHEMBL27581225 0.79 ALDH1A1 (0.47) CYP1A2CYP3A4TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133067-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
US-6858383-B2 Compositions and methods for the treatment and prevention of cardiovascular diseases and disorders, and for identifying agents therapeutic therefor MEDLYTE, INC. (US) 2005-02-22 US disclosed
US-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 US disclosed
US-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 US disclosed
US-20030027304-A1 Compositions and methods for the treatment and prevention of cardiovascular diseases and disorders, and for identifying agents therapeutic therefor MEDLYTE, INC. 2003-02-06 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 US disclosed
CN-1253554-A Heterocyclic compounds and their use for inhibiting 'beta'-amyloid peptide ELAN MEDICINE CO (US) 2000-05-17 CN disclosed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 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 (2 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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP ALOX15 802/4885CYP4F2 4056/4885CYP4A11 2048/4885
US-20030027304-A1 Compositions and methods for the treatment and prevention of cardiovascular diseases and disorders, and for identifying agents therapeutic therefor SPHK1, SGPL1, SGMS1 ALOX15 244/4885CYP4F2 3212/4885CYP4A11 1410/4885

“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.