SCHEMBL5789455

SCHEMBL5789455

COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)CC3COC[C@H]2N3)C2CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
CYP3A4 P08684 2/20 1.00
CTSD P07339 1/20 0.67
CTSE P14091 1/20 0.67

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
SCHEMBL5789451 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL5789446 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL5729858 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5786350 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5786344 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5730812 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5925899 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5730815 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5730142 0.89 REN (0.83) RENCYP3A4CTSDCTSE
SCHEMBL5729859 0.89 REN (0.83) RENCYP3A4CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258648-A1 9-Azabicyclo'3.3.1 inon-6-ee derivatives with a heteroatom at the 3-position as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-11-16 US claimed
EP-1622685-A1 9-AZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES WITH A HETEROATOM AT THE 3-POSITION AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP claimed
WO-2004096366-A1 9-AZABICYCLO’3.3.1!NON-6-EE DERIVATIVES WITH A HETEROATOM AT THE 3-POSITION AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO claimed
US-20060258648-A1 9-Azabicyclo'3.3.1 inon-6-ee derivatives with a heteroatom at the 3-position as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-11-16 US 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-20060258648-A1 9-Azabicyclo'3.3.1 inon-6-ee derivatives with a heteroatom at the 3-position as renin inhibitors REN, ACE, AGTR1 REN 1/4885CYP3A4 294/4885CTSD 558/4885

“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.