SCHEMBL4903361

SCHEMBL4903361

COCCCCC1(CNC(=O)[C@H]2C[C@@H](C(=O)N(Cc3ccnc(OC)c3)C3CC3)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.46
CHRM1 P11229 2/20 0.35
USP30 Q70CQ3 1/20 0.33
PTPRB P23467 1/20 0.31
PTPN11 Q06124 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
TBK1 Q9UHD2 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
SLC2A1 P11166 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
SCHEMBL14089260 1.00 REN (0.46) RENCHRM1USP30PTPRBPTPN11
SCHEMBL4911019 0.91 REN (0.49) RENUSP30PTPRBPTPN11SLC2A1
SCHEMBL14089259 0.91 REN (0.49) RENUSP30PTPRBPTPN11SLC2A1
SCHEMBL4911727 0.88 REN (0.49) RENUSP30
SCHEMBL14089253 0.88 REN (0.49) RENUSP30
SCHEMBL4903326 0.84 REN (0.51) RENUSP30
SCHEMBL14089243 0.84 REN (0.51) RENUSP30
SCHEMBL14089232 0.82 REN (0.51) RENUSP30PTPRBPTPN11
SCHEMBL4910578 0.82 REN (0.51) RENUSP30PTPRBPTPN11
SCHEMBL4911786 0.82 REN (0.48) RENUSP30

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 1/4885CHRM1 2249/4885USP30 2082/4885

“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.