SCHEMBL1038580

SCHEMBL1038580

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
RORC P51449 7/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.33
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
RAB9A P51151 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1038578 1.00 REN (0.37) RENRORCLMNATHRBALDH1A1
SCHEMBL3906487 0.95 REN (0.36) RENRORCHRH3PIK3CDPIK3CA
SCHEMBL3906490 0.95 REN (0.36) RENRORCHRH3PIK3CDPIK3CA
SCHEMBL1040580 0.95 REN (0.36) RENRORCLMNATHRBALDH1A1
SCHEMBL3905401 0.95 REN (0.36) RENRORCLMNATHRBALDH1A1
SCHEMBL1040582 0.95 REN (0.36) RENRORCLMNATHRBALDH1A1
SCHEMBL1040648 0.93 REN (0.37) RENRORCLMNATHRBALDH1A1
SCHEMBL1040647 0.93 REN (0.37) RENRORCLMNATHRBALDH1A1
SCHEMBL1040445 0.92 REN (0.36) RENRORC
SCHEMBL1040446 0.92 REN (0.36) RENRORC

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 29/4885RORC 4614/4885LMNA 948/4885

“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.