SCHEMBL3076149

SCHEMBL3076149

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNCCc4ccccc4F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MET P08581 1/20 0.32
YAP1 P46937 3/20 0.32
KCNH2 Q12809 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PDE4B Q07343 1/20 0.32
HTR2A P28223 1/20 0.32
PIK3CG P48736 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL3070175 0.94 YAP1 (0.37) RENKDM4EMEN1NPC1LMNA
SCHEMBL3061927 0.92 REN (0.38) RENKDM4EMEN1NPC1LMNA
SCHEMBL3077523 0.92 REN (0.41) REN
SCHEMBL3072342 0.89 CHRNB2 (0.39) RENKDM4ENPC1LMNAYAP1
SCHEMBL3070643 0.89 REN (0.38) RENKDM4EMEN1NPC1LMNA
SCHEMBL3073189 0.89 REN (0.38) RENKDM4ENPC1LMNAKCNH2
SCHEMBL3072297 0.88 REN (0.36) RENKDM4EMEN1NPC1LMNA
SCHEMBL3072480 0.88 REN (0.38) RENKDM4ELMNAKCNH2PDE4B
SCHEMBL3078297 0.88 REN (0.38) RENKDM4ELMNAKCNH2PDE4B
SCHEMBL3072664 0.88 GRM5 (0.40) RENKDM4ENPC1LMNAPDE4B

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 1/4885KDM4E 1843/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885KDM4E 1843/4885MEN1 2817/4885

“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.