SCHEMBL3072632

SCHEMBL3072632

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNC(=O)c4cccc(F)c4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.42
CHRM4 P08173 3/20 0.37
MET P08581 3/20 0.35
LMNA P02545 1/20 0.35
MCHR1 Q99705 1/20 0.34
BCHE P06276 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTR7 P34969 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 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
SCHEMBL3071808 0.93 REN (0.43) RENCHRM4CYSLTR2CYSLTR1
SCHEMBL3072297 0.89 REN (0.36) RENMETLMNAKDM1AMAOA
SCHEMBL3072342 0.89 CHRNB2 (0.39) RENLMNAKDM1AMAOAMAOB
SCHEMBL3070175 0.89 YAP1 (0.37) RENLMNAKDM1AMAOAMAOB
SCHEMBL3061927 0.88 REN (0.38) RENCHRM4METLMNA
SCHEMBL3078297 0.88 REN (0.38) RENLMNA
SCHEMBL3072480 0.88 REN (0.38) RENLMNA
SCHEMBL3072664 0.88 GRM5 (0.40) RENLMNA
SCHEMBL3076149 0.87 REN (0.38) RENMETLMNACYSLTR2CYSLTR1
SCHEMBL3073189 0.87 REN (0.38) RENLMNA

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 1/4885CHRM4 2273/4885MET 1546/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CHRM4 2273/4885MET 1546/4885

“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.