SCHEMBL3072297

SCHEMBL3072297

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCCNc4cc(F)ccc4F)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.36
MET P08581 3/20 0.33
KDM1A O60341 2/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HTR2A P28223 2/20 0.32
YAP1 P46937 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PDE4B Q07343 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
SCHEMBL3077425 0.91 MKNK2 (0.34) RENMETKDM1AMKNK2PDE4B
SCHEMBL3070175 0.90 YAP1 (0.37) RENKDM1AYAP1MAOAMAOB
SCHEMBL3069728 0.89 REN (0.40) RENHTR2APDE4B
SCHEMBL3072632 0.89 REN (0.42) RENMETKDM1AMAOAMAOB
SCHEMBL3072342 0.89 CHRNB2 (0.39) RENKDM1AYAP1MAOAMAOB
SCHEMBL3073189 0.88 REN (0.38) RENKDM4ENPC1LMNAPDE4B
SCHEMBL3076149 0.88 REN (0.38) RENMETHTR2AYAP1KDM4E
SCHEMBL3070510 0.88 MKNK2 (0.34) RENMETKDM1AMKNK2PDE4B
SCHEMBL3078297 0.88 REN (0.38) RENKDM4ELMNAPDE4B
SCHEMBL3072480 0.88 REN (0.38) RENKDM4ELMNAPDE4B

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 1/4885MET 1546/4885KDM1A 3515/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885MET 1546/4885KDM1A 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.