SCHEMBL925044

SCHEMBL925044

O=C(O)c1cn(C2CCCC2)c(=O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
HPGD P15428 5/20 0.62
ALDH1A1 P00352 4/20 0.62
HSD17B10 Q99714 3/20 0.62
GAA P10253 2/20 0.62
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GLP1R P43220 5/20 0.42
CYP3A4 P08684 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL21056698 0.94 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL924875 0.83 HPGD (0.61) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL2679599 0.78 KDM4E (1.00) KDM4EHPGDALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL9142762 0.78 MEN1 (0.49) KDM4EHPGDALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL9142770 0.77 MEN1 (0.51) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL12486470 0.76 KDM4E (0.69) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL3399045 0.73 KDM4E (0.86) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL30906932 0.73 KDM4E (0.86) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL30906933 0.73 KDM4E (0.86) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL10998696 0.72 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 1391/4885HPGD 2249/4885ALDH1A1 2087/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KDM4E 1391/4885HPGD 2249/4885ALDH1A1 2087/4885

“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.