SCHEMBL1037741

SCHEMBL1037741

COCCCCOc1ccc([C@@H]2[C@@H](O)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 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
REN P00797 2/20 0.36
MMP9 P14780 3/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
ADAM17 P78536 1/20 0.36
ADAM9 Q13443 1/20 0.36
CHRM4 P08173 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE4B Q07343 2/20 0.35
CTSK P43235 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MMP7 P09237 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL2339602 0.90 MMP9 (0.43) NPC1MMP9MMP1MMP3ADAM17
SCHEMBL2339949 0.88 PPARG (0.40) NPC1KDM4EMEN1KMT2AREN
SCHEMBL4583364 0.87 REN (0.46) REN
SCHEMBL2340534 0.87 REN (0.46) REN
SCHEMBL3943583 0.87 KDM4E (0.34) NPC1KDM4EMEN1LMNAKMT2A
SCHEMBL2338938 0.87 SMN1; SMN2 (0.40) NPC1MEN1KMT2ACHRM4RAB9A
SCHEMBL4583118 0.87 SMN1; SMN2 (0.40) NPC1MEN1KMT2ACHRM4RAB9A
SCHEMBL4583065 0.87 FAAH (0.37) NPC1MEN1KMT2ACHRM4RAB9A
SCHEMBL3268191 0.87 FAAH (0.37) NPC1MEN1KMT2ACHRM4RAB9A
SCHEMBL2340715 0.86 REN (0.39) REN

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 NPC1 1191/4885KDM4E 2131/4885MEN1 3438/4885

“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.