SCHEMBL1038348

SCHEMBL1038348

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](CNC(=O)CO[Si](C)(C)C(C)(C)C)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
REN P00797 3/20 0.32
MMP9 P14780 3/20 0.32
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
ADAM17 P78536 1/20 0.32
ADAM9 Q13443 1/20 0.32
GRIN2B Q13224 1/20 0.31
MAPT P10636 1/20 0.31
BMP1 P13497 1/20 0.31
MMP7 P09237 1/20 0.31
MMP13 P45452 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
TSHR P16473 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
SCHEMBL3940514 0.93 REN (0.34) RENMAPTTP53THRBAXL
SCHEMBL1040810 0.91 MMP9 (0.34) BCL9CTNNB1RENMMP9MMP1
SCHEMBL1038488 0.87 BCL9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL1038319 0.87 MMP9 (0.35) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2343571 0.85 MMP9 (0.37) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2341075 0.85 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1
SCHEMBL1038351 0.85 REN (0.32) RENMAPTTSHR
SCHEMBL3907545 0.84 MMP9 (0.35) BCL9CTNNB1RENMMP9MMP1
SCHEMBL3907547 0.84 MMP9 (0.35) BCL9CTNNB1RENMMP9MMP1
SCHEMBL2337532 0.84 MMP9 (0.36) BCL9CTNNB1RENMMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 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 (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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 BCL9 2967/4885CTNNB1 4877/4885REN 29/4885

“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.