SCHEMBL4508162

SCHEMBL4508162

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)NC(=O)NC4CCOCC4)NC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.33
HTR4 Q13639 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2C P18825 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
BACE1 P56817 1/20 0.31
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4502016 0.91 REN (0.34) RENHTR4HTR1AADRA2CACHE
SCHEMBL4501011 0.89 REN (0.33) RENKMT2AMAPTTHRBTSHR
SCHEMBL4512336 0.87 REN (0.33) RENKMT2AMAPTTHRBTSHR
SCHEMBL8004948 0.86 REN (0.35) RENHTR4HTR1AADRA2CACHE
SCHEMBL2916390 0.85 REN (0.34) RENKMT2AMAPTTHRB
SCHEMBL13601221 0.85 REN (0.34) RENHTR4HTR1AADRA2CACHE
SCHEMBL4502114 0.85 REN (0.34) RENHTR4HTR1AADRA2CACHE
SCHEMBL8007301 0.84 REN (0.37) RENBACE1KMT2ATSHR
SCHEMBL4512268 0.84 REN (0.35) RENKMT2AMAPTTHRBTSHR
SCHEMBL8007298 0.84 REN (0.36) RENBACE1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 REN 1/4885HTR4 1085/4885HTR1A 417/4885

“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.