SCHEMBL3443782

SCHEMBL3443782

COc1ccc(C(O)CC(N)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
AOC3 Q16853 2/20 0.57
TNF P01375 1/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
FFAR1 O14842 1/20 0.44
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM4 Q14833 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL27553229 0.85 AOC3 (0.56) L3MBTL1AOC3ALDH1A1MAPTFFAR1
SCHEMBL27553231 0.85 AOC3 (0.56) L3MBTL1AOC3ALDH1A1MAPTFFAR1
SCHEMBL11071292 0.84 L3MBTL1 (0.61) L3MBTL1AOC3TNFCA1CA2
SCHEMBL4478666 0.84 FFAR1 (0.56) L3MBTL1AOC3ALDH1A1MAPTFFAR1
SCHEMBL4478662 0.84 FFAR1 (0.56) L3MBTL1AOC3ALDH1A1MAPTFFAR1
SCHEMBL27702953 0.84 TNF (0.55) L3MBTL1TNFCA1CA2PARP10
SCHEMBL29161398 0.83 AOC3 (0.54) L3MBTL1AOC3TNFCA1CA2
SCHEMBL12883281 0.82 TNF (0.54) L3MBTL1AOC3TNFCA1CA2
SCHEMBL5468798 0.82 AOC3 (0.57) L3MBTL1AOC3CA1CA2ALDH1A1
SCHEMBL6289377 0.81 TNF (0.52) L3MBTL1AOC3TNFCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US claimed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed
JP-2007522197-A 2007-08-09 JP claimed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US claimed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP claimed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 WO claimed
US-20210070690-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2021-03-11 US disclosed
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP disclosed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 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-20210070690-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP EBP, NR1H3, APEH L3MBTL1 4155/4885AOC3 371/4885TNF 2425/4885
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R L3MBTL1 4725/4885AOC3 378/4885TNF 4305/4885

“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.