SCHEMBL3873571

SCHEMBL3873571

CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.56
AGTR1 P30556 3/20 0.56
CYP3A4 P08684 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
ADRA2B P18089 2/20 0.56
SLC6A2 P23975 2/20 0.56
PPARG P37231 2/20 0.56
HTR2B P41595 2/20 0.56
PDE3A Q14432 2/20 0.56
ABCB11 O95342 1/20 0.56
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
CYP2C9 P11712 1/20 0.56
ADRB3 P13945 1/20 0.56
TBXAS1 P24557 1/20 0.56
HTR2C P28335 1/20 0.56
LTB4R2 Q9NPC1 1/20 0.56
AGT P01019 1/20 0.49
NAE1 Q13564 3/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL498030 0.94 AGTR1 (0.64) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL8112903 0.94 AGTR2 (0.52) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL28915096 0.93 AGTR2 (0.54) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL1653579 0.88 AGTR2 (0.57) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL3429149 0.88 AGTR1 (0.57) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL10108979 0.87 AGTR1 (0.66) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL15478941 0.87 AGTR2 (0.59) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL14573953 0.87 AGTR2 (0.49) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL9594207 0.85 AGTR1 (0.54) AGTR2AGTR1CYP3A4ADORA3ADRA2B
SCHEMBL14573941 0.85 AGTR2 (0.49) AGTR2AGTR1CYP3A4ADORA3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413911-B1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA D D NOVO MESTO (SI) 2014-02-19 EP disclosed
US-20120029201-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL ZUPANCIC SILVO (SI) 2012-02-02 US disclosed
US-20120029201-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL ZUPANCIC SILVO (SI) 2012-02-02 US disclosed
EP-1945629-B1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL KRKA D D NOVO MESTO (SI) 2012-02-01 EP disclosed
US-7884212-B2 deprotection of triphenylmethane(trityl)of 1-[[cyclohexyloxy) carbonyl]oxy]-ethyl-2-ethoxy-1-[[2'-(N-triphenyl-methyltetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate (trityl candesartan cilexetil) in methanol and in the presence of ZnCl2 ZUPANCIC SILVO 2011-02-08 US disclosed
US-7884212-B2 deprotection of triphenylmethane(trityl)of 1-[[cyclohexyloxy) carbonyl]oxy]-ethyl-2-ethoxy-1-[[2'-(N-triphenyl-methyltetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate (trityl candesartan cilexetil) in methanol and in the presence of ZnCl2 ZUPANCIC SILVO 2011-02-08 US disclosed
WO-2010112222-A1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA, D.D., NOVO MESTO (SI) 2010-10-07 WO disclosed
US-20100197933-A1 Process for the Preparation of Candesartan Cilexetil ZUPANCIC SILVO 2010-08-05 US disclosed
US-20100197933-A1 Process for the Preparation of Candesartan Cilexetil ZUPANCIC SILVO 2010-08-05 US disclosed
US-20090318706-A1 Process for the Preparation of Candesartan Cilexetil ZUPANCIC SILVO 2009-12-24 US disclosed
US-20090318706-A1 Process for the Preparation of Candesartan Cilexetil ZUPANCIC SILVO 2009-12-24 US disclosed
EP-1833801-B9 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2009-02-25 EP disclosed
EP-1833801-B1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2008-06-04 EP disclosed
WO-2007042161-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL KRKA, D.D. NOVO MESTO (SI) 2007-04-19 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-20090318706-A1 Process for the Preparation of Candesartan Cilexetil REN, AGTR1, AGT AGTR2 6/4885AGTR1 2/4885CYP3A4 1091/4885
US-20100197933-A1 Process for the Preparation of Candesartan Cilexetil REN, AGTR1, AGT AGTR2 6/4885AGTR1 2/4885CYP3A4 1091/4885
US-20120029201-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL REN, AGTR1, AGT AGTR2 6/4885AGTR1 2/4885CYP3A4 1091/4885

“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.