SCHEMBL1041114

SCHEMBL1041114

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)=O)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 2/20 0.34
RORC P51449 5/20 0.33
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
PKM P14618 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
REN P00797 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 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
SCHEMBL1037105 0.95 CYP2C9 (0.35) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1517885 0.94 CYP2C9 (0.34) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1517882 0.94 CYP2C9 (0.34) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL2916459 0.93 FKBP1A (0.38) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL2922625 0.93 FKBP1A (0.38) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL2916456 0.93 FKBP1A (0.38) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1036293 0.93 CYP2C9 (0.35) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1040027 0.92 CYP2C9 (0.34) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1038641 0.92 LMNA (0.33) CYP2C9POLBLMNASMN1; SMN2PKM
SCHEMBL2922224 0.92 CYP2C9 (0.34) CYP2C9POLBRORCLMNASMN1; SMN2

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 1015/4885RORC 4614/4885

“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.