SCHEMBL5455029

SCHEMBL5455029

Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)N(Cc4ccnc(OCCCO[Si](C)(C)C(C)(C)C)c4C)C4CC4)C4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.47
CYP3A4 P08684 5/20 0.42

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
SCHEMBL5455023 1.00 REN (0.47) RENCYP3A4
SCHEMBL5653443 0.91 REN (0.49) RENCYP3A4
SCHEMBL5653447 0.91 REN (0.49) RENCYP3A4
SCHEMBL5455037 0.86 REN (0.35) RENCYP3A4
SCHEMBL4785966 0.82 REN (0.63) RENCYP3A4
SCHEMBL4785962 0.82 REN (0.63) RENCYP3A4
SCHEMBL4785977 0.82 REN (0.63) RENCYP3A4
SCHEMBL5470620 0.79 REN (0.52) RENCYP3A4
SCHEMBL5470628 0.79 REN (0.52) RENCYP3A4
SCHEMBL5470619 0.79 REN (0.52) RENCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135405-A1 Novel diazabicyclononene and tetrahydropyridine derivatives with a new polar side-chain ACTELION PHARMACEUTICALS LTD. (CH) 2007-06-14 US disclosed
EP-1680427-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-07-19 EP disclosed
WO-2005040173-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-05-06 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-20070135405-A1 Novel diazabicyclononene and tetrahydropyridine derivatives with a new polar side-chain REN, ACE, ACE2 REN 1/4885CYP3A4 238/4885

“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.