SCHEMBL5192040

SCHEMBL5192040

COC(=O)C1(NC(=O)c2cc3ccccc3cc2N)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
PYGL P06737 6/20 0.38
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5195375 0.91 IDO1 (0.46) IDO1MEN1KMT2APYGLCYP2C9
SCHEMBL5196425 0.89 PYGL (0.45) IDO1PYGLCYP2C9L3MBTL1
SCHEMBL5197354 0.88 PYGL (0.46) IDO1PYGLCYP2C9L3MBTL1
SCHEMBL5196554 0.88 PYGL (0.46) IDO1PYGLCYP2C9L3MBTL1
SCHEMBL5194411 0.88 PYGL (0.46) IDO1PYGLCYP2C9L3MBTL1
SCHEMBL5192234 0.88 PYGL (0.46) IDO1PYGLCYP2C9L3MBTL1
SCHEMBL5194226 0.86 PYGL (0.48) IDO1MEN1KMT2APYGLCYP2C9
SCHEMBL5194915 0.86 IDO1 (0.41) IDO1MEN1KMT2APYGLCYP2C9
SCHEMBL5422464 0.86 IDO1 (0.41) IDO1MEN1KMT2APYGLCYP2C9
SCHEMBL5191719 0.83 CXCR5 (0.47) IDO1PYGLCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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 (1 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 IDO1 2940/4885MEN1 4256/4885HCRTR1 4851/4885

“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.