SCHEMBL2383017

SCHEMBL2383017

CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1C1CCN(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.52
▸ DRD2 P14416 1/20 0.43
▸ IP6K1 Q92551 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2383187 0.88 QPCT (0.52) QPCTDRD2IP6K1KDM4EALDH1A1
SCHEMBL2382908 0.87 QPCT (0.50) QPCTIP6K1
SCHEMBL2381865 0.86 CCR1 (0.49) QPCT
SCHEMBL2383102 0.85 QPCT (0.44) QPCT
SCHEMBL1443991 0.77 QPCT (0.58) QPCTIP6K1
SCHEMBL2379722 0.77 QPCT (0.66) QPCT
SCHEMBL2380955 0.77 QPCT (0.61) QPCTIP6K1
SCHEMBL2381493 0.75 QPCT (0.50) QPCT
SCHEMBL2381376 0.75 QPCT (0.49) QPCTIP6K1
SCHEMBL2380742 0.75 QPCT (0.46) QPCTIP6K1

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 2/4885DRD2 4529/4885IP6K1 2750/4885
US-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885DRD2 4529/4885IP6K1 2750/4885

“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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