SCHEMBL4916218

SCHEMBL4916218

COCCCCC1(CNC(=O)[C@H]2C[C@@H](C(=O)NCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.55
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
TACR1 P25103 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
STS P08842 1/20 0.36
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL14089231 1.00 REN (0.55) RENKCNH2SCN5ASCN9ATACR1
SCHEMBL4669437 0.93 REN (0.57) RENKCNH2SCN5ASCN9ATACR1
SCHEMBL4667631 0.93 REN (0.57) RENKCNH2SCN5ASCN9ATACR1
SCHEMBL4669434 0.93 REN (0.57) RENKCNH2SCN5ASCN9ATACR1
SCHEMBL4903185 0.93 REN (0.54) RENGAALMNASTSTP53
SCHEMBL4903191 0.93 REN (0.54) RENGAALMNASTSTP53
SCHEMBL4913435 0.93 REN (0.54) RENGAALMNASTSTP53
SCHEMBL4912890 0.92 REN (0.57) RENKCNH2SCN5ASCN9ATACR1
SCHEMBL4912885 0.92 REN (0.57) RENKCNH2SCN5ASCN9ATACR1
SCHEMBL4670533 0.92 REN (0.57) RENKCNH2SCN5ASCN9ATACR1

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 1/4885KCNH2 391/4885SCN5A 22/4885

“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.