SCHEMBL3070643

SCHEMBL3070643

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNCC4CCCCC4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.38
PDE4B Q07343 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GRIN2B Q13224 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
YAP1 P46937 3/20 0.33
BCHE P06276 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3072342 0.91 CHRNB2 (0.39) RENPDE4BKDM4ENPC1LMNA
SCHEMBL3072480 0.90 REN (0.38) RENPDE4BKDM4ELMNACHRNB2
SCHEMBL3078297 0.90 REN (0.38) RENPDE4BKDM4ELMNACHRNB2
SCHEMBL3070175 0.90 YAP1 (0.37) RENKMT2AKDM4EMEN1NPC1
SCHEMBL3072664 0.90 GRM5 (0.40) RENPDE4BKDM4ENPC1LMNA
SCHEMBL3076149 0.89 REN (0.38) RENPDE4BKMT2AKDM4EMEN1
SCHEMBL3073189 0.89 REN (0.38) RENPDE4BKDM4ENPC1LMNA
SCHEMBL3071808 0.89 REN (0.43) RENNPC1CHRNB2CHRNA5CHRNA7
SCHEMBL3074775 0.89 REN (0.37) RENPDE4BUTS2RKDM4ELMNA
SCHEMBL3077065 0.89 REN (0.37) RENPDE4BUTS2RKDM4ELMNA

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 6 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
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 (1 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 1/4885PDE4B 312/4885UTS2R 514/4885

“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.