SCHEMBL14321730

SCHEMBL14321730

Cc1ccccc1-c1ccc2ncc(C(C)CC(=O)NCC3CCCCC3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.60
ABL1 P00519 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL13756 0.83 BACE1 (0.71) BACE1
SCHEMBL14322009 0.81 BACE1 (0.59) BACE1
SCHEMBL9424 0.77 BACE1 (0.56) BACE1ABL1CNR1MAPK14
SCHEMBL9425 0.77 BACE1 (0.56) BACE1ABL1CNR1MAPK14
SCHEMBL17620296 0.75 BACE1 (1.00) BACE1
SCHEMBL9288 0.74 BACE1 (1.00) BACE1
SCHEMBL17620371 0.72 BACE1 (1.00) BACE1
SCHEMBL9464 0.71 BACE1 (0.76) BACE1HPGD
SCHEMBL17620305 0.71 BACE1 (1.00) BACE1
SCHEMBL17620329 0.70 BACE1 (0.80) 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 2 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

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 3563/4885HPGD 3002/4885

“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.