SCHEMBL1040340

SCHEMBL1040340

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](OC[C@H]4CO4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
THRB P10828 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
PIK3CD O00329 3/20 0.32
PIK3CA P42336 3/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
EDNRB P24530 1/20 0.31

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
SCHEMBL3902352 0.95 REN (0.36) RENPIK3CDPIK3CA
SCHEMBL3914858 0.95 REN (0.36) RENPIK3CDPIK3CA
SCHEMBL3902388 0.95 REN (0.36) RENPIK3CDPIK3CA
SCHEMBL2683065 0.92 REN (0.36) REN
SCHEMBL1035197 0.91 REN (0.38) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL3908978 0.91 MMP9 (0.35) RENTHRBTP53
SCHEMBL1039332 0.91 MMP9 (0.35) RENTHRBTP53
SCHEMBL1040333 0.91 AXL (0.40) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL1039229 0.91 REN (0.38) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL1040648 0.90 REN (0.37) RENTHRBCYP3A4CYP2C19ALDH1A1

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-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
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 2871/4885CYP3A4 674/4885

“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.