SCHEMBL3071410

SCHEMBL3071410

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC)c(F)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.41
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PTGDR2 Q9Y5Y4 9/20 0.36
KCNH2 Q12809 1/20 0.35
ATM Q13315 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3068647 0.90 PDE4B (0.38) PDE4BHTTSMN1; SMN2
SCHEMBL3072781 0.89 PDE4B (0.38) PDE4BALDH1A1HTTSMN1; SMN2
SCHEMBL3067190 0.89 PDE4B (0.41) PDE4BCHRM2CHRM5CHRM1CHRM3
SCHEMBL3072342 0.89 CHRNB2 (0.39) PDE4BALDH1A1LMNASMN1; SMN2
SCHEMBL3072664 0.89 GRM5 (0.40) PDE4BBCL9CTNNB1ALDH1A1LMNA
SCHEMBL3061482 0.89 PDE4B (0.37) PDE4BHTTSMN1; SMN2
SCHEMBL3072222 0.89 PDE4B (0.37) PDE4BPTGDR2HTTSMN1; SMN2
SCHEMBL3071923 0.89 PDE4B (0.37) PDE4BHTTSMN1; SMN2
SCHEMBL3070416 0.88 PDE4B (0.37) PDE4BBCL9CTNNB1SMN1; SMN2
SCHEMBL3070875 0.88 PDE4B (0.37) PDE4BHTTSMN1; 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 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 PDE4B 312/4885CHRM2 2289/4885CHRM5 1728/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885CHRM2 2289/4885CHRM5 1728/4885

“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.