SCHEMBL2545562

SCHEMBL2545562

c1ccc(CN(Cc2ccccc2)c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.63
IP6K1 Q92551 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL2540844 0.89 QPCT (0.83) QPCTIP6K1TAAR1CYP2D6TSHR
SCHEMBL12230697 0.85 QPCT (0.80) QPCTIP6K1CYP2C19
SCHEMBL2541655 0.85 QPCT (0.48) QPCTIP6K1TAAR1CYP2D6TSHR
SCHEMBL12286798 0.85 QPCT (0.59) QPCTIP6K1BLM
SCHEMBL2542024 0.85 QPCT (0.59) QPCTIP6K1
SCHEMBL2545455 0.85 QPCT (0.55) QPCTIP6K1
SCHEMBL2557274 0.85 QPCT (0.68) QPCT
SCHEMBL2539898 0.84 QPCT (0.53) QPCTBLM
SCHEMBL2539456 0.82 QPCT (0.74) QPCTIP6K1
SCHEMBL2543554 0.82 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 12 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
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 2/4885IP6K1 2750/4885TAAR1 4656/4885

“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.