SCHEMBL2339602

SCHEMBL2339602

COc1ccc(C2C(O)CN(C(=O)OCc3ccccc3)CC2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.43
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
MMP7 P09237 2/20 0.43
MMP13 P45452 1/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
PARP1 P09874 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
GRIN2B Q13224 1/20 0.40
PDE4B Q07343 2/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
KDM1A O60341 1/20 0.39
CHRM2 P08172 1/20 0.38

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
SCHEMBL4583118 0.92 SMN1; SMN2 (0.40) GRIN2BPDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL2338938 0.92 SMN1; SMN2 (0.40) GRIN2BPDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL1037741 0.90 NPC1 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL2344278 0.89 NPC1 (0.41) MMP9MMP1MMP3MMP7MMP13
SCHEMBL2338996 0.88 RORC (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL3268191 0.88 FAAH (0.37) GRIN2BTP53NPC1RAB9ASMN1; SMN2
SCHEMBL4583065 0.88 FAAH (0.37) GRIN2BTP53NPC1RAB9ASMN1; SMN2
SCHEMBL2340534 0.85 REN (0.46)
SCHEMBL4583364 0.85 REN (0.46)
SCHEMBL2339949 0.84 PPARG (0.40) TP53MDM2NPC1RAB9ASMN1; SMN2

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.