SCHEMBL2337726

SCHEMBL2337726

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(OCCCOc4ccccc4Cl)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.40
CYP3A4 P08684 5/20 0.38
UTS2R Q9UKP6 1/20 0.35
HTR1A P08908 5/20 0.34
HTR1D P28221 5/20 0.34
HTR1B P28222 5/20 0.34
CYP2C9 P11712 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
KMO O15229 1/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL1037801 0.94 REN (0.39) RENCYP3A4UTS2RHTR1AHTR1D
SCHEMBL2340121 0.92 REN (0.39) RENCYP3A4UTS2RHTR1AHTR1D
SCHEMBL2339171 0.91 MAPT (0.40) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL2344002 0.90 REN (0.34) RENPPARGPPARDPPARA
SCHEMBL3268089 0.90 REN (0.37) RENCYP3A4UTS2RHTR1AHTR1D
SCHEMBL4581441 0.90 REN (0.37) RENCYP3A4UTS2RHTR1AHTR1D
SCHEMBL3267997 0.89 REN (0.36) RENCYP3A4UTS2RHTR1AHTR1D
SCHEMBL4581822 0.89 REN (0.36) RENCYP3A4UTS2RHTR1AHTR1D
SCHEMBL2340812 0.89 REN (0.43) RENCYP3A4UTS2RMAPT
SCHEMBL2340488 0.88 REN (0.38) RENCYP3A4UTS2RMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776359-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 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
EP-1776359-A2 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-04-25 EP disclosed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO 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 (2 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-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE REN 1/4885CYP3A4 1269/4885UTS2R 170/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885CYP3A4 1122/4885UTS2R 679/4885

“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.