SCHEMBL4909883

SCHEMBL4909883

COCCCCC1(CNC(=O)C2CC(C(=O)NCCCO)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.55
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 1/20 0.34
GAA P10253 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
TLR2 O60603 2/20 0.33
TLR1 Q15399 2/20 0.33
ACKR3 P25106 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
USP30 Q70CQ3 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8255953 1.00 REN (0.55) RENMAPTMAPK1KDM4EHPGD
SCHEMBL4909887 1.00 REN (0.55) RENMAPTMAPK1KDM4EHPGD
SCHEMBL4911876 0.92 REN (0.57) RENMAPTMAPK1KDM4EHPGD
SCHEMBL4910052 0.92 REN (0.54) RENMAPTMAPK1KDM4EHPGD
SCHEMBL4910054 0.92 REN (0.54) RENMAPTMAPK1KDM4EHPGD
SCHEMBL4910192 0.92 REN (0.54) RENMAPTMAPK1KDM4EHPGD
SCHEMBL4912885 0.92 REN (0.57) RENMAPTKDM4ENAMPTUSP30
SCHEMBL4669434 0.92 REN (0.57) RENMAPTKDM4ENAMPTUSP30
SCHEMBL4669437 0.92 REN (0.57) RENMAPTKDM4ENAMPTUSP30
SCHEMBL4667631 0.92 REN (0.57) RENMAPTKDM4ENAMPTUSP30

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 1/4885MAPT 1706/4885MAPK1 742/4885

“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.