SCHEMBL1040158

SCHEMBL1040158

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.36
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
RORC P51449 4/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL14272005 0.96 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2925320 0.96 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3561065 0.96 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2917460 0.94 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2920516 0.94 REN (0.36) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2923638 0.93 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8455576 0.93 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8257866 0.92 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4583132 0.92 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3466476 0.92 REN (0.35) RENMAPTNPC1RAB9ASMN1; 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 REN 29/4885MAPT 4794/4885NPC1 1191/4885

“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.