SCHEMBL8239753

SCHEMBL8239753

CCNC(=O)[C@H](CC)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.72
CTSK P43235 15/20 0.72
CAPN1 P07384 1/20 0.56
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 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
SCHEMBL13229651 0.89 CTSK (0.59) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL14611701 0.88 CTSS (0.57) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL2998867 0.87 CTSS (0.56) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL18975436 0.85 CAPN1 (0.59) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL3034859 0.85 CTSS (0.58) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL24741085 0.85 CAPN1 (0.74) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL21111329 0.85 CTSS (0.67) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL12336548 0.85 CTSS (0.67) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL3275039 0.85 CTSS (0.67) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL10076131 0.85 CTSS (0.67) CTSSCTSKCAPN1CTSLCTSB

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 9 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
US-20080293680-A1 Substituted Ethane-1,2-Diamines for the Treatment of Alzheimer's Disease II PETERS STEFAN 2008-11-27 US disclosed
US-20080293680-A1 Substituted Ethane-1,2-Diamines for the Treatment of Alzheimer's Disease II PETERS STEFAN 2008-11-27 US disclosed
WO-2007014946-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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 (3 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 CTSS 1930/4885CTSK 3047/4885CAPN1 3358/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 CTSS 1930/4885CTSK 3047/4885CAPN1 3358/4885
US-20080293680-A1 Substituted Ethane-1,2-Diamines for the Treatment of Alzheimer's Disease II PSEN2, PSEN1, APP CTSS 3897/4885CTSK 4324/4885CAPN1 3416/4885

“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.