SCHEMBL987184

SCHEMBL987184

CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.72
NAE1 Q13564 4/20 0.72
AGTR2 P50052 3/20 0.72
CYP3A4 P08684 2/20 0.72
ADORA3 P0DMS8 2/20 0.72
ADRA2B P18089 2/20 0.72
SLC6A2 P23975 2/20 0.72
PPARG P37231 2/20 0.72
HTR2B P41595 2/20 0.72
PDE3A Q14432 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
MLNR O43193 1/20 0.72
NR1I2 O75469 1/20 0.72
USP2 O75604 1/20 0.72
ESR1 P03372 1/20 0.72
NR3C1 P04150 1/20 0.72
TP53 P04637 1/20 0.72
PGR P06401 1/20 0.72
ADRB2 P07550 1/20 0.72

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
SCHEMBL1639019 0.89 NAE1 (0.78) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL30007290 0.86 NAE1 (0.74) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL1020471 0.86 NAE1 (0.74) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL21116097 0.86 NAE1 (0.74) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL14192227 0.85 AGTR2 (0.55) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL24819609 0.85 AGTR1 (0.72) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL469652 0.85 NAE1 (0.76) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL8294487 0.84 KDM4E (0.61) AGTR1NAE1AGTR2CYP3A4ADORA3
SCHEMBL21302261 0.84 NAE1 (0.75) AGTR1NAE1AGTR2CYP3A4ADORA3
Candesartan Cilexetil SCHEMBL3968703 0.84 NAE1 (0.79) AGTR1NAE1AGTR2CYP3A4ADORA3

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
EP-2139866-B1 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA D D NOVO MESTO (SI) 2011-01-12 EP claimed
EP-2139866-B1 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA D D NOVO MESTO (SI) 2011-01-12 EP disclosed
US-7868180-B2 Process for the preparation of sartan derivatives and intermediates useful in such process KRKA, D.D. NOVO MESTO (SI) 2011-01-11 US disclosed
EP-2139866-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D., Novo Mesto (SI) 2010-01-06 EP disclosed
US-20080312451-A1 Process For the Preparation of Sartan Derivatives and Intermediates Useful in Such Process KRKA, D.D. NOVO MESTO (SK) 2008-12-18 US disclosed
WO-2008129077-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D. NOVO MESTO (SI) 2008-10-30 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-20080312451-A1 Process For the Preparation of Sartan Derivatives and Intermediates Useful in Such Process MC5R, NPY5R, ADRA1D AGTR1 283/4885NAE1 1839/4885AGTR2 311/4885

“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.