SCHEMBL4528639

SCHEMBL4528639

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](O)[C@@H]3c3ccc(OCCCOc4ccccc4Cl)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.36
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
GRM5 P41594 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP3A4 P08684 2/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2339518 0.93 REN (0.37) RENPPARDPPARAPPARGGRM5
SCHEMBL4583012 0.93 REN (0.37) RENPPARDPPARAPPARGGRM5
SCHEMBL1039086 0.93 REN (0.35) RENPPARDPPARAPPARGGRM5
SCHEMBL3914348 0.93 REN (0.38) RENGRM5
SCHEMBL3907496 0.93 REN (0.38) RENGRM5
SCHEMBL4582351 0.92 REN (0.34) RENPPARDPPARAPPARGHRH3
SCHEMBL1040011 0.92 PDE4B (0.37) RENPPARDPPARAPPARG
SCHEMBL4582354 0.92 REN (0.34) RENPPARDPPARAPPARGHRH3
SCHEMBL1077522 0.92 REN (0.35) RENPPARDPPARAPPARGGRM5
SCHEMBL4583362 0.92 REN (0.34) RENPPARDPPARAPPARGHRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 29/4885PPARD 625/4885PPARA 1115/4885

“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.