SCHEMBL2337532

SCHEMBL2337532

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O)C3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
ADAM17 P78536 1/20 0.36
ADAM9 Q13443 1/20 0.36
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
REN P00797 5/20 0.35
MMP7 P09237 2/20 0.35
MMP13 P45452 1/20 0.35
P2RX4 Q99571 1/20 0.35
BMP1 P13497 1/20 0.34
PDE4B Q07343 1/20 0.34
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL3913491 1.00 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL3905577 0.95 REN (0.40) RENPDE4BTMEM97SIGMAR1
SCHEMBL1036379 0.95 REN (0.39) RENTMEM97SIGMAR1
SCHEMBL3267738 0.95 REN (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2343571 0.94 MMP9 (0.37) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2341075 0.94 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL1081448 0.94 REN (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL4582330 0.93 REN (0.36) RENPDE4BTMEM97SIGMAR1
SCHEMBL1040324 0.93 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2335814 0.93 MMP9 (0.36) MMP9MMP1MMP3ADAM17ADAM9

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 MMP9 483/4885MMP1 271/4885MMP3 405/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ MMP9 107/4885MMP1 284/4885MMP3 33/4885

“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.