SCHEMBL2335015

SCHEMBL2335015

CCCCOC(=O)N1CC(OCc2ccc3c(c2)N(CCCOC)C(=O)CO3)C(c2ccc(OCCOCc3cccc(F)c3)cc2)C(O[Si](C(C)C)(C(C)C)C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 3/20 0.35
HTR1A P08908 2/20 0.33
CYP2C9 P11712 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
TSHR P16473 1/20 0.32
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
KDM1A O60341 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
SCHEMBL2340488 0.95 REN (0.38) RENGAACYP3A4KDM4EALDH1A1
SCHEMBL1037801 0.87 REN (0.39) RENCYP3A4HTR1ACYP2C9HTR1D
SCHEMBL2340812 0.85 REN (0.43) RENCYP3A4
SCHEMBL2340121 0.85 REN (0.39) RENGAACYP3A4HTR1ACYP2C9
SCHEMBL2339171 0.84 MAPT (0.40) RENCYP3A4ALDH1A1TSHR
SCHEMBL3906325 0.84 REN (0.40) RENCYP3A4HTR1ACYP2C9HTR1D
SCHEMBL3949181 0.84 REN (0.39) RENCYP3A4HTR1ACYP2C9HTR1D
SCHEMBL4581822 0.83 REN (0.36) RENGAACYP3A4HTR1ACYP2C9
SCHEMBL3267997 0.83 REN (0.36) RENGAACYP3A4HTR1ACYP2C9
SCHEMBL4581441 0.83 REN (0.37) RENCYP3A4HTR1ACYP2C9HTR1D

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
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

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 1/4885GAA 429/4885CYP3A4 1269/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885GAA 94/4885CYP3A4 1122/4885

“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.