SCHEMBL3077425

SCHEMBL3077425

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(NCCCOc4cc(F)ccc4F)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.34
JAK1 P23458 3/20 0.34
JAK2 O60674 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
REN P00797 1/20 0.34
PDE4B Q07343 1/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.32
MET P08581 3/20 0.32
TRPV4 Q9HBA0 1/20 0.32
KDM1A O60341 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
GRIN2B Q13224 2/20 0.31
LRRK2 Q5S007 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL3070510 0.94 MKNK2 (0.34) MKNK2JAK1JAK2PTGDR2REN
SCHEMBL3069844 0.93 PTGDR2 (0.36) MKNK2JAK1JAK2PTGDR2REN
SCHEMBL3072297 0.91 REN (0.36) MKNK2RENPDE4BMETKDM1A
SCHEMBL3077541 0.86 REN (0.46) MKNK2RENPDE4BMETKDM1A
SCHEMBL3073590 0.86 REN (0.37) PTGDR2RENPDE4BMET
SCHEMBL3070175 0.86 YAP1 (0.37) JAK1JAK2RENKDM1A
SCHEMBL3072664 0.86 GRM5 (0.40) RENPDE4B
SCHEMBL3072342 0.86 CHRNB2 (0.39) RENPDE4BKDM1A
SCHEMBL3068647 0.85 PDE4B (0.38) RENPDE4BTRPV4UTS2R
SCHEMBL3069728 0.85 REN (0.40) RENPDE4B

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 MKNK2 4414/4885JAK1 4105/4885JAK2 3232/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MKNK2 4414/4885JAK1 4105/4885JAK2 3232/4885

“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.