SCHEMBL3443103

SCHEMBL3443103

COc1cccc(C(O)CNC=O)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.67
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.47
GRIN2B Q13224 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
ADRB3 P13945 1/20 0.44
ADRB2 P07550 2/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3442764 0.83 RXFP1 (0.58) KDM4ETDP1
SCHEMBL5182347 0.82 MTNR1A (0.48) AOC3CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL5430682 0.82 AOC3 (0.48) AOC3CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL3443780 0.81 AOC3 (0.63) AOC3KDM4EADRB3ADRB2TDP1
SCHEMBL22953181 0.81 AOC3 (0.74) AOC3CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL3443108 0.81 AOC3 (0.74) AOC3CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL15161591 0.81 AOC3 (0.68) AOC3CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL12186405 0.81 AOC3 (0.68) AOC3CHRM2CHRM1CHRM3L3MBTL1
Hydrochloric Acid SCHEMBL6848635 0.80 AOC3 (0.72) AOC3CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL3443226 0.80 KMT2A (0.53) ADRB3ADRB2

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 11 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-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 (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-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R AOC3 378/4885CHRM2 906/4885CHRM1 829/4885

“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.