SCHEMBL3940514

SCHEMBL3940514

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.34
THRB P10828 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 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
SCHEMBL1038348 0.93 BCL9 (0.32) RENTHRBMAPTTP53AXL
SCHEMBL1039582 0.90 THRB (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3942761 0.89 RORC (0.34) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3910212 0.89 THRB (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3950599 0.89 RORC (0.32) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3950587 0.89 RORC (0.32) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3914492 0.87 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL5069719 0.86 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3902420 0.86 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1038351 0.86 REN (0.32) RENMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 REN 29/4885THRB 2871/4885ALDH1A1 566/4885

“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.