SCHEMBL3192274

SCHEMBL3192274

COCCCc1nc2c(C(O)c3cccc4c3nc(CCCOC)n4COCC[Si](C)(C)C)cccc2n1COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.34
F11 P03951 1/20 0.32
MAP4K1 Q92918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL3078966 0.84 SMN1; SMN2 (0.40) CASRSMN1; SMN2NPC1MAP4K1ALDH1A1
SCHEMBL3070127 0.82 SMN1; SMN2 (0.35) CASRSMN1; SMN2NPC1MAP4K1ALDH1A1
SCHEMBL3075854 0.82 NPC1 (0.37) SMN1; SMN2NPC1MAP4K1ALDH1A1MAPT
SCHEMBL29117063 0.77 TLR8 (0.38) CASRSMN1; SMN2NPC1
SCHEMBL21684868 0.76 CASR (0.35) CASRNPC1F11MAP4K1
SCHEMBL21684696 0.72 F11 (0.41) NPC1F11MAP4K1MAPT
SCHEMBL21685317 0.72 VCP (0.37) CASRNPC1F11
SCHEMBL21685429 0.72 F11 (0.41) SMN1; SMN2NPC1F11MAP4K1ALDH1A1
SCHEMBL21684454 0.71 F11 (0.35) CASRNPC1F11MAP4K1
SCHEMBL21684736 0.71 CYP1A2 (0.36) CASRNPC1MAP4K1

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 5 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

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 CASR 1270/4885SMN1; SMN2 4291/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CASR 1270/4885SMN1; SMN2 4291/4885NPC1 794/4885

“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.