SCHEMBL3950592

SCHEMBL3950592

COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(COS(C)(=O)=O)CC3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 4/20 0.34
PKM P14618 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
FKBP1A P62942 1/20 0.34
CYP2C9 P11712 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.33
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.32
REN P00797 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
SCHEMBL2922299 1.00 NPC1 (0.34) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL2926048 0.95 LMNA (0.34) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL4539304 0.93 LMNA (0.33) LMNAPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL1040142 0.93 LMNA (0.33) LMNAPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL2920405 0.92 FKBP1A (0.36) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL2922334 0.92 NPC1 (0.35) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL2919070 0.92 CASP3 (0.39) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL2917136 0.92 NPC1 (0.35) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL2919704 0.92 NPC1 (0.35) NPC1LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL3465107 0.91 LMNA (0.36) NPC1LMNAPKMALDH1A1SMN1; 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 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 NPC1 1191/4885LMNA 948/4885PKM 777/4885

“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.