SCHEMBL4214871

SCHEMBL4214871

COc1cccc(CNCC(O)C(N)Cc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
CTSD P07339 9/20 0.58
BACE1 P56817 11/20 0.56
DNM1 Q05193 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL165644 1.00 BCHE (0.61) BCHECTSDBACE1DNM1MEN1
Hydrochloric Acid SCHEMBL5348922 0.99 BCHE (0.60) BCHECTSDBACE1DNM1MEN1
Hydrochloric Acid SCHEMBL6110582 0.99 BCHE (0.60) BCHECTSDBACE1DNM1MEN1
SCHEMBL3352016 0.91 BCHE (0.51) BCHECTSDBACE1MEN1KMT2A
SCHEMBL5205801 0.91 LMNA (0.54) BCHECTSDBACE1DNM1
SCHEMBL3876015 0.91 LMNA (0.54) BCHECTSDBACE1DNM1
Hydrochloric Acid SCHEMBL5220538 0.90 LMNA (0.53) BCHECTSDBACE1DNM1
SCHEMBL4039356 0.89 KDM4E (0.50) BCHECTSDBACE1MEN1KMT2A
SCHEMBL3349956 0.88 BACE1 (0.57) CTSDBACE1
SCHEMBL13409422 0.88 BACE1 (0.57) CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
EP-1871739-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-01-02 EP disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 US disclosed
WO-2006110668-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-10-19 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 (2 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP BCHE 12/4885CTSD 31/4885BACE1 1/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP BCHE 14/4885CTSD 50/4885BACE1 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.