SCHEMBL4361909

SCHEMBL4361909

COc1cc(CCNC(=O)[C@@H](O)c2ccc(F)c(F)c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ALOX5 P09917 1/20 0.48
OR51E2 Q9H255 1/20 0.48
TSHR P16473 2/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAPK1 P28482 1/20 0.47
NOX4 Q9NPH5 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
TYR P14679 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL4361914 1.00 MTNR1A (0.50) MTNR1AMTNR1BALOX5OR51E2TSHR
SCHEMBL4367232 1.00 MTNR1A (0.50) MTNR1AMTNR1BALOX5OR51E2TSHR
SCHEMBL4367006 0.92 CA1 (0.50) MTNR1AMTNR1BALOX5OR51E2TSHR
SCHEMBL4367014 0.92 CA1 (0.50) MTNR1AMTNR1BALOX5OR51E2TSHR
SCHEMBL4371826 0.92 CA1 (0.50) MTNR1AMTNR1BALOX5OR51E2TSHR
SCHEMBL4371462 0.91 CA1 (0.49) MTNR1AMTNR1BALOX5OR51E2
SCHEMBL4369942 0.91 CA1 (0.49) MTNR1AMTNR1BALOX5OR51E2
SCHEMBL4366946 0.91 CA1 (0.49) MTNR1AMTNR1BALOX5OR51E2
SCHEMBL4363914 0.89 MTNR1A (0.52) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4376901 0.89 MTNR1A (0.52) MTNR1AMTNR1BALOX5OR51E2NOX4

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
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP claimed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO claimed
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
EP-1526128-B1 Process the preparation of alpha-hydroxycarboxylic acid amides SYNGENTA PARTICIPATIONS AG (CH) 2007-01-03 EP disclosed
EP-1444195-B1 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-10 EP disclosed
EP-1526128-A2 Process the preparation of alpha-hydroxycarboxylic acid amides Syngenta Participations AG (CH) 2005-04-27 EP disclosed
US-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. 2005-01-20 US disclosed
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 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 (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-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides HCAR1, HCAR3, HCAR2 MTNR1A 247/4885MTNR1B 341/4885ALOX5 251/4885

“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.