SCHEMBL9425

SCHEMBL9425

CC(=CC(=O)NCC1CCCCC1)c1cnc2ccc(-c3ccccc3C)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.56
ABL1 P00519 1/20 0.41
METTL3 Q86U44 1/20 0.41
CNR1 P21554 2/20 0.39
MAPK14 Q16539 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL9424 1.00 BACE1 (0.56) BACE1ABL1METTL3CNR1MAPK14
SCHEMBL8477 0.78 LCK (0.44) BACE1ABL1MAPK14USP2ALDH1A1
SCHEMBL9715 0.78 LCK (0.44) BACE1ABL1MAPK14USP2ALDH1A1
SCHEMBL9434 0.78 BACE1 (0.50) BACE1ABL1MAPK14HDAC1HDAC2
SCHEMBL14321730 0.77 BACE1 (0.60) BACE1ABL1CNR1MAPK14
SCHEMBL9433 0.77 BACE1 (0.49) BACE1ABL1MAPK14HDAC1HDAC2
SCHEMBL9435 0.77 BACE1 (0.49) BACE1ABL1MAPK14HDAC1HDAC2
SCHEMBL17620296 0.71 BACE1 (1.00) BACE1
SCHEMBL9288 0.70 BACE1 (1.00) BACE1
SCHEMBL13756 0.70 BACE1 (0.71) 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 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 1/4885ABL1 3563/4885METTL3 3016/4885

“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.