SCHEMBL3287115

SCHEMBL3287115

CC(C)(C)OC(=O)C(OCc1ccccc1)C(N)C=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 6/20 0.54
SLC1A1 P43005 6/20 0.54
SLC1A3 P43003 5/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
LTA4H P09960 1/20 0.44
SYK P43405 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC7A5 Q01650 1/20 0.39
PPARA Q07869 1/20 0.39
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CTSB P07858 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
Acetic Acid SCHEMBL2848667 0.83 SLC1A3 (0.49) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL6897562 0.83 SLC1A3 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL9095387 0.83 SLC1A3 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL9095855 0.83 SLC1A3 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL5275264 0.82 SLC1A3 (0.51) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL20400849 0.77 SLC1A3 (0.50) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL27605009 0.77 SLC1A1 (0.50) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL20400850 0.77 SLC1A3 (0.50) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL187067 0.76 LTA4H (0.44) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL16672792 0.76 ALDH1A1 (0.47) SLC1A2SLC1A1SLC1A3MEN1CYP1A2

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-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
EP-1866034-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-12-19 EP disclosed
US-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
WO-2006103038-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 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-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 SLC1A2 29/4885SLC1A1 80/4885SLC1A3 153/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 SLC1A2 29/4885SLC1A1 80/4885SLC1A3 153/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 SLC1A2 29/4885SLC1A1 80/4885SLC1A3 153/4885

“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.