SCHEMBL9932

SCHEMBL9932

CCOC(=O)c1ccccc1-c1ccc2nc(N)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.59
CTSD P07339 1/20 0.59
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ERN1 O75460 1/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 2/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL7705848 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EMAPK1TDP1
SCHEMBL9711 0.81 BACE1 (0.61) BACE1CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL13776780 0.78 SLC6A3 (0.57) SLC6A2SLC6A4SLC6A3ALDH1A1HSD17B10
SCHEMBL13776773 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL4684987 0.77 NPC1 (0.53) BACE1ALDH1A1HSD17B10KDM4EL3MBTL1
SCHEMBL7441914 0.76 ALDH1A1 (0.61) SLC6A4SLC6A3ALDH1A1HSD17B10KDM4E
SCHEMBL9826 0.76 BACE1 (0.62) BACE1CTSDACHE
SCHEMBL4351204 0.76 MAPK1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1HSD17B10
SCHEMBL4362995 0.76 KDM4E (0.45) ALDH1A1HSD17B10KDM4EMAPK1TDP1
SCHEMBL1767713 0.75 BACE1 (1.00) BACE1CTSDJAK3ACHE

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 BACE1 1/4885CTSD 827/4885SLC6A2 4115/4885

“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.