SCHEMBL2546266

SCHEMBL2546266

CCc1ccc(CN(Cc2ccc(C)cc2)c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.72
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
IP6K1 Q92551 1/20 0.34

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
SCHEMBL12230697 0.95 QPCT (0.80) QPCTCYP2C19CNR1CNR2IP6K1
SCHEMBL2544100 0.90 QPCT (0.72) QPCTCYP2C19CNR2IP6K1
SCHEMBL2537533 0.86 QPCT (0.83) QPCTCYP2C19LMNAIP6K1
SCHEMBL12230716 0.86 QPCT (0.54) QPCTLMNATP53HTTHSD17B10
SCHEMBL2540845 0.86 QPCT (0.54) QPCTLMNATP53HTTHSD17B10
SCHEMBL2536253 0.86 QPCT (0.68) QPCTLMNATP53HTTHSD17B10
SCHEMBL2542301 0.86 QPCT (0.54) QPCTLMNATP53HTTHSD17B10
SCHEMBL2537556 0.85 QPCT (0.53) QPCT
SCHEMBL2544960 0.83 QPCT (0.54) QPCTLMNATP53HTTHSD17B10
SCHEMBL12286798 0.81 QPCT (0.59) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP claimed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US claimed
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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 (1 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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885CYP2C19 1338/4885LMNA 3052/4885

“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.