SCHEMBL1133221

SCHEMBL1133221

CCOC(=O)[C@@H]1C[C@H](C(C)=O)[C@H](c2ccc(OC)c(OCCCOC)c2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CACNA1F O60840 3/20 0.39
CACNA1D Q01668 3/20 0.39
CACNA1S Q13698 3/20 0.39
CACNA1C Q13936 3/20 0.39
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
REN P00797 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1133185 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCA12
Hydrochloric Acid SCHEMBL1133180 0.99 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL1132675 0.88 REN (0.46) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL3389298 0.88 REN (0.40) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL4955591 0.88 REN (0.40) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL4955261 0.88 REN (0.40) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL2175523 0.88 REN (0.42) PDE4BRENTP53SMN1; SMN2
SCHEMBL1133256 0.88 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL2178941 0.88 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL1133253 0.88 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DREN

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
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 claimed
EP-2287153-A1 Synthesis Of Renin Inhibitors Involving A Cycloaddition Reaction Novartis AG (CH) 2011-02-23 EP claimed
EP-1931629-B1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2010-12-22 EP claimed
US-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction NOVARTIS AG (CH) 2008-10-16 US claimed
EP-1931629-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION Novartis AG (CH) 2008-06-18 EP claimed
WO-2007039183-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2007-04-12 WO claimed

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-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction REN, AGTR1, AGTR2 PDE4A 1503/4885PDE4B 1472/4885PDE4C 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.