SCHEMBL1040276

SCHEMBL1040276

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)O)C[C@H]2OCC(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.36
RORC P51449 8/20 0.34
GRM5 P41594 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL1040275 1.00 REN (0.36) RENRORCGRM5CYSLTR2CYSLTR1
SCHEMBL3905699 0.99 REN (0.36) RENRORCGRM5PIK3CDPIK3CA
SCHEMBL3905694 0.99 REN (0.36) RENRORCGRM5PIK3CDPIK3CA
SCHEMBL1040580 0.95 REN (0.36) RENRORCPIK3CDPIK3CAHRH3
SCHEMBL3905401 0.95 REN (0.36) RENRORCPIK3CDPIK3CAHRH3
SCHEMBL1040582 0.95 REN (0.36) RENRORCPIK3CDPIK3CAHRH3
SCHEMBL3915143 0.94 REN (0.39) RENRORCGRM5CYSLTR2CYSLTR1
SCHEMBL3906490 0.94 REN (0.36) RENRORCGRM5PIK3CDPIK3CA
SCHEMBL3906487 0.94 REN (0.36) RENRORCGRM5PIK3CDPIK3CA
SCHEMBL3902447 0.94 REN (0.39) RENRORCGRM5CYSLTR2CYSLTR1

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 4614/4885GRM5 1426/4885

“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.