SCHEMBL4903390

SCHEMBL4903390

CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H](C(=O)NCC2(CCCCOC)c3ccccc3Oc3ccccc32)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
USP30 Q70CQ3 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
EPHX2 P34913 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
SCHEMBL14089237 1.00 REN (0.47) RENUSP30KDM4ELMNATHRB
SCHEMBL4911786 0.92 REN (0.48) RENUSP30KDM4ELMNATHRB
SCHEMBL14089234 0.92 REN (0.48) RENUSP30KDM4ELMNATHRB
SCHEMBL14089239 0.91 REN (0.45) RENEPHX2
SCHEMBL4903435 0.91 REN (0.45) RENEPHX2
SCHEMBL4903363 0.91 REN (0.46) REN
SCHEMBL14089238 0.91 REN (0.46) REN
SCHEMBL14089253 0.91 REN (0.49) RENUSP30KDM4ELMNATHRB
SCHEMBL4911727 0.91 REN (0.49) RENUSP30KDM4ELMNATHRB
SCHEMBL14089235 0.90 REN (0.50) RENKDM4EALDH1A1

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 2082/4885KDM4E 950/4885

“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.