SCHEMBL2683775

SCHEMBL2683775

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 4/20 0.33
THRB P10828 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMO O15229 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
SCHEMBL5284061 1.00 REN (0.39) RENTSHRPOLBTP53MAPT
SCHEMBL2684820 0.95 TSHR (0.39) RENTSHRPOLBTP53MAPT
SCHEMBL3469067 0.94 REN (0.40) RENTSHRPOLBTP53MAPT
SCHEMBL2684184 0.94 REN (0.40) RENTSHRPOLBTP53MAPT
SCHEMBL3911082 0.93 MAPT (0.40) RENTSHRPOLBTP53MAPT
SCHEMBL3949181 0.93 REN (0.39) RENTSHRPOLBTP53MAPT
SCHEMBL3906325 0.93 REN (0.40) RENTSHRPOLBTP53MAPT
SCHEMBL3902931 0.91 REN (0.38) RENTSHRPOLBTP53MAPT
SCHEMBL2682976 0.89 REN (0.36) RENTSHRPOLBTP53MAPT
SCHEMBL2341022 0.87 UTS2R (0.37) RENTSHRPOLBTP53MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 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 (3 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885TSHR 4539/4885POLB 1719/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 REN 1/4885TSHR 1153/4885POLB 2849/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885TSHR 1092/4885POLB 2892/4885

“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.