SCHEMBL4903435

SCHEMBL4903435

CCN(Cc1ccc(OC)cn1)C(=O)[C@@H]1C[C@H](C(=O)NCC2(CCCCOC)c3ccccc3Oc3ccccc32)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.45
MGAT2 Q10469 1/20 0.30
EPHX2 P34913 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL14089239 1.00 REN (0.45) RENMGAT2EPHX2TP53
SCHEMBL4903390 0.91 REN (0.47) RENEPHX2
SCHEMBL14089237 0.91 REN (0.47) RENEPHX2
SCHEMBL4903363 0.89 REN (0.46) REN
SCHEMBL14089238 0.89 REN (0.46) REN
SCHEMBL14089235 0.88 REN (0.50) REN
SCHEMBL4911709 0.88 REN (0.50) REN
SCHEMBL4913315 0.86 REN (0.51) REN
SCHEMBL14089255 0.86 REN (0.51) REN
SCHEMBL14089236 0.85 REN (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885MGAT2 1041/4885EPHX2 1359/4885

“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.