SCHEMBL8513814

SCHEMBL8513814

CN/C(=N/C(=O)OC(C)(C)C)NC1(CC(=O)OC)c2cc(Br)ccc2Oc2c1cc(Cl)nc2F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.32
CTSD P07339 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8513817 1.00 BACE1 (0.32) BACE1CTSDNPSR1KDM4EMAPT
SCHEMBL8513818 0.80 BACE1 (0.33) BACE1CTSDNPSR1KDM4EMAPT
SCHEMBL8512252 0.79 BACE1 (0.36) BACE1CTSDNPSR1KDM4EMAPT
SCHEMBL9611302 0.78 BACE1 (0.35) BACE1CTSDNPSR1KDM4EMAPT
SCHEMBL2371832 0.78 BACE1 (0.34) BACE1CTSD
SCHEMBL2370774 0.76 AKR1B1 (0.35) BACE1CTSD
SCHEMBL8512549 0.75 BACE1 (0.40) BACE1CTSDNPSR1KDM4EMAPT
SCHEMBL8513669 0.71 AKR1B1 (0.35) BACE1CTSD
SCHEMBL15418574 0.70 BACE1 (0.34) BACE1CTSD
SCHEMBL12213462 0.69 BACE1 (0.30) BACE1

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-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-20130338177-A1 Spiro-Amino-Imidazolone and Spiro-Amino-Dihydro-Pyrimidinone Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-12-19 US disclosed
EP-2643325-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-10-02 EP disclosed
WO-2012071279-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-05-31 WO disclosed
WO-2012071279-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-05-31 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 (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-20130338177-A1 Spiro-Amino-Imidazolone and Spiro-Amino-Dihydro-Pyrimidinone Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP BACE1 1/4885CTSD 1045/4885NPSR1 585/4885

“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.