SCHEMBL12801905

SCHEMBL12801905

COCCN(CCOC)c1ccc([C@@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CNR2 P34972 2/20 0.40
GPR88 Q9GZN0 5/20 0.39
RIPK1 Q13546 1/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL12801923 0.89 MAPT (0.40) MAPTRAB9AKDM4ENPC1CNR2
SCHEMBL12805655 0.85 CNR2 (0.52) MAPTRAB9AKDM4ENPC1CNR2
SCHEMBL27888279 0.85 CNR2 (0.52) MAPTRAB9AKDM4ENPC1CNR2
SCHEMBL10316494 0.84 GPR88 (0.46) RAB9ACNR2GPR88RIPK1ALDH1A1
SCHEMBL12801920 0.81 ALDH1A1 (0.35) MAPTRAB9AKDM4ENPC1CNR2
SCHEMBL12805412 0.81 ANPEP (0.45) RAB9ANPC1CTSKALDH1A1ATM
SCHEMBL12801886 0.81 GPR88 (0.54) GPR88
SCHEMBL15107466 0.81 GPR88 (0.54) GPR88
SCHEMBL12801873 0.80 GPR88 (0.45) MAPTRAB9AGPR88RIPK1CTSS
SCHEMBL12819276 0.80 GPR88 (0.45) MAPTRAB9AGPR88RIPK1CTSS

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 MAPT 4151/4885RAB9A 2426/4885KDM4E 559/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS MAPT 4151/4885RAB9A 2426/4885KDM4E 559/4885

“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.