SCHEMBL1037839

SCHEMBL1037839

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)OCc3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.36
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
GRM5 P41594 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
RORC P51449 2/20 0.32
BMP1 P13497 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 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
SCHEMBL2338242 0.96 BMP1 (0.35) RENGRM5BMP1
SCHEMBL3268517 0.95 REN (0.34) RENGRM5RORCBMP1
SCHEMBL3272138 0.94 REN (0.35) RENGRM5BMP1MKNK2HRH2
SCHEMBL4582802 0.94 REN (0.35) RENGRM5BMP1MKNK2HRH2
SCHEMBL3902921 0.94 REN (0.37) RENCYSLTR2CYSLTR1GRM5ITGB3
SCHEMBL2340320 0.94 REN (0.35) RENGRM5KDM4EALDH1A1MKNK2
SCHEMBL4592680 0.94 REN (0.35) RENGRM5KDM4EALDH1A1MKNK2
SCHEMBL2344002 0.94 REN (0.34) RENCYSLTR2CYSLTR1GRM5ITGB3
SCHEMBL1037107 0.93 REN (0.36) RENGRM5RORCBMP1
SCHEMBL2334830 0.93 REN (0.34) RENMKNK2

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP 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 29/4885CYSLTR2 2774/4885CYSLTR1 2118/4885

“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.