SCHEMBL3268975

SCHEMBL3268975

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(Oc4ccccn4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.34
UTS2R Q9UKP6 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 3/20 0.33
KMO O15229 2/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
RIPK1 Q13546 1/20 0.32
MKNK2 Q9HBH9 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP1A2 P05177 2/20 0.30
HTR1A P08908 2/20 0.30
CYP2C9 P11712 2/20 0.30
HTR1D P28221 2/20 0.30
HTR1B P28222 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP2D6 P10635 1/20 0.30
SMPD1 P17405 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
SCHEMBL1037801 0.92 REN (0.39) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL2339171 0.92 MAPT (0.40) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL3268089 0.91 REN (0.37) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL4581441 0.91 REN (0.37) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL3274201 0.90 CYP3A4 (0.35) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL3267581 0.90 MKNK2 (0.32) RENRIPK1MKNK2
SCHEMBL3267997 0.89 REN (0.36) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL4581822 0.89 REN (0.36) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL3272600 0.89 MAPT (0.34) RENUTS2RCYP3A4MAPTTSHR
SCHEMBL2341022 0.88 UTS2R (0.37) RENUTS2RCYP3A4MAPTTSHR

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
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP disclosed
EP-1863802-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE REN 1/4885UTS2R 156/4885CYP3A4 659/4885

“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.