SCHEMBL4903087

SCHEMBL4903087

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.51
USP30 Q70CQ3 4/20 0.32
NAMPT P43490 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
IL1B P01584 1/20 0.30
P2RX7 Q99572 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
SCHEMBL14089233 1.00 REN (0.51) RENUSP30NAMPTCYP3A4MAPT
SCHEMBL14089240 0.95 REN (0.51) RENUSP30NAMPT
SCHEMBL4909859 0.95 REN (0.51) RENUSP30NAMPT
SCHEMBL14089236 0.92 REN (0.50) RENUSP30NAMPTMAPT
SCHEMBL4913977 0.92 REN (0.50) RENUSP30NAMPTMAPT
SCHEMBL4910054 0.91 REN (0.54) RENUSP30NAMPTCYP3A4MAPT
SCHEMBL4910192 0.91 REN (0.54) RENUSP30NAMPTCYP3A4MAPT
SCHEMBL4910052 0.91 REN (0.54) RENUSP30NAMPTCYP3A4MAPT
SCHEMBL14089242 0.90 REN (0.50) RENUSP30NAMPT
SCHEMBL4905203 0.90 REN (0.50) RENUSP30NAMPT

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 1/4885USP30 2082/4885NAMPT 2165/4885

“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.