SCHEMBL3070175

SCHEMBL3070175

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNCCc4ccc(F)cc4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.37
REN P00797 5/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 0.33
KDM1A O60341 4/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
KCNH2 Q12809 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
SCHEMBL3076149 0.94 REN (0.38) YAP1RENMEN1KMT2AKDM4E
SCHEMBL3072297 0.90 REN (0.36) YAP1RENMEN1KMT2AKDM4E
SCHEMBL3072342 0.90 CHRNB2 (0.39) YAP1RENKDM4ENPC1LMNA
SCHEMBL3070643 0.90 REN (0.38) YAP1RENMEN1KMT2AKDM4E
SCHEMBL3072632 0.89 REN (0.42) RENLMNACYSLTR2CYSLTR1KDM1A
SCHEMBL3072480 0.89 REN (0.38) RENKDM4ELMNAKCNH2
SCHEMBL3078297 0.89 REN (0.38) RENKDM4ELMNAKCNH2
SCHEMBL3072664 0.89 GRM5 (0.40) RENKDM4ENPC1LMNA
SCHEMBL3073189 0.88 REN (0.38) RENKDM4ENPC1LMNAKCNH2
SCHEMBL3071808 0.88 REN (0.43) RENNPC1CYSLTR2CYSLTR1

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 YAP1 916/4885REN 1/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 YAP1 916/4885REN 1/4885MEN1 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.