SCHEMBL841067

SCHEMBL841067

COCCCOc1cc(C(=O)[C@@H](C[C@@H](COC(=O)OC(C)(C)C)NC(=O)C(C)(C)C)C(C)C)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.42
SMPD1 P17405 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
SCHEMBL862032 0.92 REN (0.42) RENSMPD1
SCHEMBL841379 0.83 REN (0.54) REN
SCHEMBL13102816 0.76 AAK1 (0.41) REN
SCHEMBL862279 0.76 REN (0.53) REN
SCHEMBL8249451 0.76 AAK1 (0.41) REN
SCHEMBL9907039 0.75 REN (0.46) REN
SCHEMBL13090547 0.75 REN (0.46) REN
SCHEMBL14040843 0.72 REN (0.47) RENSMPD1
SCHEMBL13337107 0.70 REN (0.39) REN
SCHEMBL8196536 0.70 REN (0.39) REN

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-8143416-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 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-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT REN 1/4885SMPD1 3843/4885

“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.