SCHEMBL2381865

SCHEMBL2381865

CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 17/20 0.49
▸ CCR2 P41597 16/20 0.49
▸ QPCT Q16769 3/20 0.47

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
SCHEMBL2383017 0.86 QPCT (0.52) QPCT
SCHEMBL2382908 0.86 QPCT (0.50) QPCT
SCHEMBL2380742 0.85 QPCT (0.46) QPCT
SCHEMBL2383102 0.85 QPCT (0.44) QPCT
SCHEMBL2383103 0.82 QPCT (0.48) QPCT
SCHEMBL2381493 0.80 QPCT (0.50) QPCT
SCHEMBL2383772 0.79 QPCT (0.49) QPCT
SCHEMBL2380955 0.78 QPCT (0.61) QPCT
SCHEMBL2382973 0.74 QPCT (0.52) QPCT
SCHEMBL2379722 0.73 QPCT (0.66) QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545047-B9 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) PROBIODRUG AG (DE) 2015-06-10 — — EP disclosed
EP-2545047-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) PROBIODRUG AG (DE) 2014-04-23 — — EP disclosed
US-8420828-B2 Inhibitors PROBIODRUG AG (DE) 2013-04-16 — — US disclosed
EP-2545047-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) Probiodrug AG (DE) 2013-01-16 — — EP disclosed
US-20120283259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2012-11-08 — — US disclosed
US-8269019-B2 Inhibitors PROBIODRUG AG (DE) 2012-09-18 — — US disclosed
WO-2011110613-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) PROBIODRUG AG (DE) 2011-09-15 — — WO disclosed
US-20110224254-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 — — US 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-20110224254-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CCR1 4840/4885CCR2 4629/4885QPCT 2/4885
US-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CCR1 4840/4885CCR2 4629/4885QPCT 2/4885

“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.

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