SCHEMBL1133253

SCHEMBL1133253

COCCCOc1cc(C2NC(C(=O)OC(C)(C)C)CC2C(C)=O)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.45
PDE4A P27815 7/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
REN P00797 5/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CREBBP Q92793 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL2175768 1.00 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL2178941 1.00 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL1133570 1.00 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL1133256 1.00 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL1133185 0.88 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL1133221 0.88 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL3389298 0.87 REN (0.40) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL4955591 0.87 REN (0.40) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL4955261 0.87 REN (0.40) PDE4BPDE4APDE4CPDE4DREN
SCHEMBL2175523 0.87 REN (0.42) PDE4BRENTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION MICKEL STUART JOHN 2011-09-22 US disclosed
US-7973175-B2 pyrrolidine chemical intermediates useful in the synthesis of drugs, especially enzyme inhibitors, such as Aliskiren NOVARTIS AG (CH) 2011-07-05 US disclosed
EP-2287153-A1 Synthesis Of Renin Inhibitors Involving A Cycloaddition Reaction Novartis AG (CH) 2011-02-23 EP disclosed
EP-1931629-B1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2010-12-22 EP disclosed
US-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction NOVARTIS AG (CH) 2008-10-16 US disclosed
EP-1931629-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION Novartis AG (CH) 2008-06-18 EP disclosed
WO-2007039183-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2007-04-12 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-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction REN, AGTR1, AGTR2 PDE4B 1472/4885PDE4A 1503/4885PDE4C 2387/4885
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION REN, AGTR1, AGTR2 PDE4B 1472/4885PDE4A 1503/4885PDE4C 2387/4885

“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.