SCHEMBL2383102

SCHEMBL2383102

CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1C1CCC(Oc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 18/20 0.44
▸ QPCTL Q9NXS2 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL2383125 0.89 QPCT (0.45) QPCTQPCTLHRH3
SCHEMBL2382908 0.87 QPCT (0.50) QPCT
SCHEMBL2383017 0.85 QPCT (0.52) QPCT
SCHEMBL2381865 0.85 CCR1 (0.49) QPCT
SCHEMBL2383772 0.78 QPCT (0.49) QPCTQPCTL
SCHEMBL2381376 0.77 QPCT (0.49) QPCTQPCTL
SCHEMBL2383187 0.75 QPCT (0.52) QPCTQPCTL
SCHEMBL2380742 0.75 QPCT (0.46) QPCTQPCTL
SCHEMBL2381493 0.74 QPCT (0.50) QPCTQPCTL
SCHEMBL2383005 0.70 QPCT (0.51) QPCTQPCTL

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 QPCT 2/4885QPCTL 8/4885HRH3 3060/4885
US-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885QPCTL 8/4885HRH3 3060/4885

“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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