SCHEMBL12805528

SCHEMBL12805528

O=C1NCC(C2CCN(c3ccccc3)CC2)N1c1ccn2ccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 4/20 0.57
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HSD11B1 P28845 2/20 0.37
▸ GFER P55789 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ AOC3 Q16853 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ RUVBL1 Q9Y265 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CHRM3 P20309 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
SCHEMBL12732620 0.81 QPCT (0.78) QPCTHRH3
SCHEMBL12732596 0.76 QPCT (0.87) QPCT
SCHEMBL1443991 0.76 QPCT (0.58) QPCT
SCHEMBL12801919 0.74 QPCT (0.71) QPCTHRH3
SCHEMBL12805639 0.74 QPCT (0.64) QPCTHRH3HSD11B1F10AOC3
SCHEMBL12805722 0.73 QPCT (0.70) QPCTHRH3
SCHEMBL12806062 0.73 QPCT (0.63) QPCTHRH3HSD11B1F10AOC3
SCHEMBL12732610 0.73 QPCT (1.00) QPCT
SCHEMBL12732949 0.71 QPCT (0.61) QPCT
SCHEMBL12732607 0.69 QPCT (0.64) QPCTAOC3SSTR4

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 1527/4885HSD11B1 3198/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885HRH3 1527/4885HSD11B1 3198/4885

“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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