SCHEMBL1037840

SCHEMBL1037840

COCCCCOc1ccc([C@H]2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CN(C(=O)O)C(Cc3ccccc3)[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.33
GRM5 P41594 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
RORC P51449 5/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MAOB P27338 7/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL1037108 0.94 REN (0.35) RENRORC
SCHEMBL1037803 0.89 REN (0.38) RENPPARGPPARA
SCHEMBL1038318 0.87 REN (0.37) RENGRM5CYSLTR2CYSLTR1MAOB
SCHEMBL3906171 0.85 REN (0.37) RENGRM5CYSLTR2CYSLTR1RORC
SCHEMBL1040689 0.85 REN (0.33) REN
SCHEMBL1040326 0.84 REN (0.34) RENGRM5
SCHEMBL3907364 0.84 REN (0.37) RENGRM5RORC
SCHEMBL1037839 0.84 REN (0.36) RENGRM5CYSLTR2CYSLTR1RORC
SCHEMBL3274719 0.83 REN (0.36) REN
SCHEMBL3905453 0.82 REN (0.37) RENGRM5RORC

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 2 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

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 29/4885GRM5 1426/4885CYSLTR2 2774/4885

“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.