SCHEMBL3059528

SCHEMBL3059528

COC(=O)c1nc2c(C)cccc2n1COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
PTGER4 P35408 2/20 0.37
MAPT P10636 3/20 0.36
F11 P03951 1/20 0.35
TLR8 Q9NR97 1/20 0.34
PPARG P37231 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KLKB1 P03952 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL5952186 0.88 NPC1 (0.42) NPC1PTGER4MAPTF11TLR8
SCHEMBL3077373 0.86 NPC1 (0.39) NPC1PTGER4MAPTF11TLR8
SCHEMBL24512710 0.76 NPC1 (0.40) NPC1PTGER4MAPTF11ALDH1A1
SCHEMBL21685763 0.76 NPC1 (0.39) NPC1PTGER4MAPTF11PPARG
SCHEMBL30889427 0.75 NPC1 (0.34) NPC1MAPTF11KLKB1DGAT1
SCHEMBL3059529 0.74 NPC1 (0.40) NPC1PTGER4MAPTF11KLKB1
SCHEMBL31569178 0.74 NPC1 (0.36) NPC1MAPTF11ALDH1A1MEN1
SCHEMBL16792476 0.74 KDM4E (0.51) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL31569201 0.73 NPC1 (0.35) NPC1MAPTF11ALDH1A1SMN1; SMN2
SCHEMBL3075854 0.72 NPC1 (0.37) NPC1PTGER4MAPTPPARGALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885PTGER4 74/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885PTGER4 74/4885MAPT 2397/4885

“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.