SCHEMBL3949181

SCHEMBL3949181

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)C(=O)CO4)CN(C(=O)O)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.39
TSHR P16473 1/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SMPD1 P17405 1/20 0.32

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
SCHEMBL3906325 0.99 REN (0.40) RENTSHRCYP3A4MAPTTP53
SCHEMBL3911082 0.95 MAPT (0.40) RENTSHRCYP3A4MAPTTP53
SCHEMBL2684184 0.94 REN (0.40) RENTSHRCYP3A4MAPTTP53
SCHEMBL3469067 0.94 REN (0.40) RENTSHRCYP3A4MAPTTP53
SCHEMBL2682976 0.94 REN (0.36) RENTSHRCYP3A4MAPTTP53
SCHEMBL2683775 0.93 REN (0.39) RENTSHRMAPTTP53POLB
SCHEMBL5284061 0.93 REN (0.39) RENTSHRMAPTTP53POLB
SCHEMBL1037801 0.92 REN (0.39) RENTSHRCYP3A4MAPTHTR1A
SCHEMBL3902931 0.91 REN (0.38) RENTSHRCYP3A4MAPTTP53
SCHEMBL2684820 0.91 TSHR (0.39) RENTSHRMAPTTP53POLB

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 3 patents. 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
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 29/4885TSHR 2821/4885CYP3A4 674/4885

“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.