SCHEMBL1037801

SCHEMBL1037801

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)C(=O)CO4)CN(C(=O)OCc3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.39
CYP3A4 P08684 4/20 0.38
UTS2R Q9UKP6 1/20 0.36
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CHRM1 P11229 1/20 0.33
SMPD1 P17405 1/20 0.33
CYP1A2 P05177 2/20 0.32
HTR1A P08908 2/20 0.32
CYP2C9 P11712 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2339171 0.96 MAPT (0.40) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL3268089 0.94 REN (0.37) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL4581441 0.94 REN (0.37) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL3267997 0.94 REN (0.36) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL4581822 0.94 REN (0.36) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL2337726 0.94 REN (0.40) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL2340488 0.93 REN (0.38) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL3268975 0.92 REN (0.34) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL2340812 0.92 REN (0.43) RENCYP3A4UTS2RMAPT
SCHEMBL2340121 0.92 REN (0.39) RENCYP3A4UTS2RMAPTTSHR

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 29/4885CYP3A4 674/4885UTS2R 1521/4885

“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.