SCHEMBL4512268

SCHEMBL4512268

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)N4CCOCC4)NC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.35
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
RORC P51449 1/20 0.31
KMT2A Q03164 1/20 0.30
RIPK1 Q13546 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 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
SCHEMBL8007301 0.90 REN (0.37) RENRORCKMT2ATSHR
SCHEMBL8007298 0.88 REN (0.36) RENRORCKMT2ATSHR
SCHEMBL4502016 0.88 REN (0.34) RENMAPTTHRBKMT2ATSHR
SCHEMBL4506756 0.88 PKM (0.34) RENMAPTTHRBKMT2ATSHR
SCHEMBL4508163 0.87 KMT2A (0.35) RENMAPTTHRBKMT2ATSHR
SCHEMBL4512336 0.87 REN (0.33) RENMAPTTHRBKMT2ATSHR
SCHEMBL8004344 0.87 KMT2A (0.35) RENMAPTTHRBKMT2ATSHR
SCHEMBL8004194 0.86 REN (0.34) RENMAPTTHRBKMT2ATSHR
SCHEMBL4510550 0.86 KMT2A (0.38) RENRORCKMT2ATSHR
SCHEMBL8002232 0.86 REN (0.33) RENMAPTTHRBRORCKMT2A

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 1/4885MAPT 4007/4885THRB 1934/4885

“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.