SCHEMBL3466037

SCHEMBL3466037

COCCCN1CCOc2ccc(CO[C@H]3CN[C@@H](CCN4CCOCC4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.39
SLC6A4 P31645 4/20 0.35
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 1/20 0.34
AKT1 P31749 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MCHR1 Q99705 1/20 0.32
HTR1A P08908 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
SCHEMBL13498080 0.93 REN (0.37) RENSLC6A4KCNH2AKT1SMN1; SMN2
SCHEMBL2923834 0.93 REN (0.37) RENSLC6A4KCNH2AKT1SMN1; SMN2
SCHEMBL3464431 0.91 REN (0.36) RENKCNH2SMN1; SMN2
SCHEMBL3464412 0.89 REN (0.37) RENKCNH2SMN1; SMN2
SCHEMBL2923764 0.89 REN (0.37) RENKCNH2SMN1; SMN2
SCHEMBL2924727 0.89 REN (0.35) RENSLC6A4HRH3KCNH2
SCHEMBL3465894 0.89 REN (0.35) REN
SCHEMBL2925169 0.88 MEN1 (0.35) RENSLC6A4HRH3KCNH2
SCHEMBL2925166 0.88 MEN1 (0.35) RENSLC6A4HRH3KCNH2
SCHEMBL13498130 0.88 MEN1 (0.35) RENSLC6A4HRH3KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 REN 1/4885SLC6A4 811/4885HRH3 1878/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885SLC6A4 425/4885HRH3 1291/4885

“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.