SCHEMBL13228331

SCHEMBL13228331

CCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)NC(Cc2ccccc2)Cc2ccccc2)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.53
APP P05067 3/20 0.46
BACE2 Q9Y5Z0 5/20 0.44
CTSD P07339 3/20 0.44
MME P08473 1/20 0.44
MMEL1 Q495T6 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CTRB1 P17538 1/20 0.42
CASP1 P29466 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
SCHEMBL13359808 0.97 BACE1 (0.52) BACE1APPBACE2CTSDMME
SCHEMBL13228920 0.96 BACE1 (0.51) BACE1APPBACE2CTSDMME
SCHEMBL13228118 0.94 BACE1 (0.50) BACE1APPBACE2CTSDMME
SCHEMBL13228119 0.94 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL13228918 0.94 BACE1 (0.49) BACE1APPBACE2CTSDMME
SCHEMBL13229111 0.94 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL13228319 0.92 BACE1 (0.50) BACE1APPBACE2CTSDMME
SCHEMBL13228148 0.91 BACE1 (0.51) BACE1APPBACE2CTSDCASP1
SCHEMBL13228312 0.90 BACE1 (0.58) BACE1APPBACE2CTSD
SCHEMBL13228388 0.90 BACE1 (0.47) BACE1APPBACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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 (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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 BACE1 3/4885APP 5/4885BACE2 20/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 BACE1 3/4885APP 5/4885BACE2 20/4885

“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.