SCHEMBL12806062

SCHEMBL12806062

O=C1NCC(c2cccc(N3CCCCC3)c2)N1c1ccn2ccnc2c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 13/20 0.63
▸ HRH3 Q9Y5N1 2/20 0.39
▸ AOC3 Q16853 1/20 0.36
▸ KIF11 P52732 2/20 0.34
▸ F10 P00742 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL12805639 0.99 QPCT (0.64) QPCTHRH3AOC3KIF11F10
SCHEMBL12805722 0.89 QPCT (0.70) QPCTHRH3
SCHEMBL12801919 0.87 QPCT (0.71) QPCTHRH3
SCHEMBL12732596 0.84 QPCT (0.87) QPCT
SCHEMBL12732620 0.83 QPCT (0.78) QPCTHRH3
SCHEMBL12802512 0.79 QPCT (0.71) QPCTHRH3
SCHEMBL12732610 0.78 QPCT (1.00) QPCT
SCHEMBL29410542 0.77 QPCT (0.53) QPCT
SCHEMBL1444399 0.77 QPCT (0.53) QPCT
SCHEMBL12732607 0.76 QPCT (0.64) QPCTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — 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 (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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885HRH3 1527/4885AOC3 1087/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885HRH3 1527/4885AOC3 1087/4885

“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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