SCHEMBL3077541

SCHEMBL3077541

CC(=O)NCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCCOc4cc(F)ccc4F)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.46
CYP3A4 P08684 1/20 0.34
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MET P08581 2/20 0.32
PDE4B Q07343 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
HTR2A P28223 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 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
SCHEMBL3073590 0.92 REN (0.37) RENMETPDE4BHTR2A
SCHEMBL3077425 0.86 MKNK2 (0.34) RENKDM1AMETPDE4BMKNK2
SCHEMBL3070510 0.86 MKNK2 (0.34) RENKDM1AMETPDE4BMKNK2
SCHEMBL3069844 0.86 PTGDR2 (0.36) RENPDE4BMKNK2HTR1A
SCHEMBL3072297 0.85 REN (0.36) RENKDM1AMAOAMAOBMET
SCHEMBL13030617 0.85 REN (0.60) REN
SCHEMBL3078959 0.85 REN (0.60) REN
SCHEMBL3061271 0.83 UTS2R (0.39) RENCYP3A4HTR1A
SCHEMBL3083395 0.83 UTS2R (0.39) RENCYP3A4HTR1A
SCHEMBL3069728 0.83 REN (0.40) RENCYP3A4PDE4BHTR2A

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 REN 1/4885CYP3A4 29/4885KDM1A 3515/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885KDM1A 3515/4885

“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.