SCHEMBL1040446

SCHEMBL1040446

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
RORC P51449 7/20 0.35

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
SCHEMBL1040445 1.00 REN (0.36) RENRORC
SCHEMBL4534784 0.95 REN (0.36) RENRORC
SCHEMBL1036694 0.95 REN (0.36) RENRORC
SCHEMBL1038580 0.92 REN (0.37) RENRORC
SCHEMBL1038578 0.92 REN (0.37) RENRORC
SCHEMBL2682327 0.92 REN (0.38) RENRORC
SCHEMBL3906487 0.92 REN (0.36) RENRORC
SCHEMBL3906490 0.92 REN (0.36) RENRORC
SCHEMBL1040450 0.91 REN (0.34) RENRORC
SCHEMBL2683435 0.91 REN (0.37) 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 4614/4885

“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.