SCHEMBL1038932

SCHEMBL1038932

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CC(C)(C)C(=O)OC)C[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
POLB P06746 3/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
RORC P51449 4/20 0.32
TP53 P04637 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 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
SCHEMBL2915884 1.00 CYP2C9 (0.35) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL3558837 0.95 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL2924529 0.95 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL2915854 0.95 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL2917088 0.94 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL2922488 0.94 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL1517820 0.94 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL1517860 0.94 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL1517818 0.94 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2MAPT
SCHEMBL1517859 0.94 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2MAPT

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-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 CYP2C9 882/4885POLB 1015/4885LMNA 948/4885

“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.