SCHEMBL8691

SCHEMBL8691

Nc1ccc2cc(-c3ccccc3C(=O)N3CCC(F)CC3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.52
FEN1 P39748 11/20 0.52
BACE1 P56817 6/20 0.51
CTSD P07339 1/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9711 0.77 BACE1 (0.61) BACE1CTSD
SCHEMBL17387526 0.71 HSP90AA1 (0.64) ALOX5APFEN1
SCHEMBL12199619 0.71 HSP90AA1 (0.64) ALOX5APFEN1
SCHEMBL9932 0.70 BACE1 (0.59) BACE1CTSDHPGDTSHR
SCHEMBL15917736 0.70 ALOX5AP (0.85) ALOX5APFEN1
SCHEMBL15911249 0.70 ALOX5AP (0.52) ALOX5APFEN1HPGDTSHRRECQL
SCHEMBL18059719 0.69 ALOX5AP (0.60) ALOX5APFEN1
SCHEMBL12199608 0.68 HSP90AA1 (0.66) ALOX5APFEN1HPGD
SCHEMBL15915951 0.68 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL2509379 0.67 HSP90AA1 (0.64) ALOX5APFEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP ALOX5AP 1148/4885FEN1 2805/4885BACE1 1/4885

“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.