SCHEMBL5195544

SCHEMBL5195544

NC(c1nnn[nH]1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.31
EPHX1 P07099 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
SCHEMBL5195552 1.00 AAK1 (0.31) AAK1EPHX1
SCHEMBL14783468 0.90
SCHEMBL6356694 0.80
SCHEMBL588188 0.77 EPHX1 (0.39) EPHX1
SCHEMBL4992531 0.77 EPHX1 (0.39) EPHX1
SCHEMBL5642596 0.74 EPHX1 (0.36) EPHX1
SCHEMBL3300570 0.72 ALOX5 (0.33) EPHX1
SCHEMBL1975155 0.69 MEN1 (0.33)
SCHEMBL4421188 0.68
SCHEMBL15337447 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
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 AAK1 1532/4885EPHX1 1557/4885

“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.