SCHEMBL2544100

SCHEMBL2544100

Cc1ccc(CN(Cc2ccc(N(C)C)cc2)c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 12/20 0.72
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
IP6K1 Q92551 2/20 0.38
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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) QPCTCYP2C19IP6K1CNR2
SCHEMBL2546266 0.90 QPCT (0.72) QPCTCYP2C19IP6K1CNR2
SCHEMBL2540372 0.86 QPCT (0.64) QPCTCYP2C19MEN1KMT2AALDH1A1
SCHEMBL2537533 0.86 QPCT (0.83) QPCTCYP2C19MEN1NPC1RAB9A
SCHEMBL2546370 0.86 QPCT (0.83) QPCTMEN1NPC1RAB9AKMT2A
SCHEMBL2539323 0.83 QPCT (0.58) QPCTMEN1NPC1RAB9AKMT2A
SCHEMBL12286798 0.81 QPCT (0.59) QPCTALDH1A1IP6K1TDP1
SCHEMBL2542024 0.81 QPCT (0.59) QPCTIP6K1
SCHEMBL2545562 0.81 QPCT (0.63) QPCTCYP2C19TSHRIP6K1
SCHEMBL2543554 0.81 QPCT (0.59) QPCTIP6K1CNR2

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 1338/4885MEN1 2544/4885

“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.