SCHEMBL4501011

SCHEMBL4501011

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)NC(=O)CC4CCOCC4)NC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.33
ACKR3 P25106 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RORC P51449 2/20 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
SCHEMBL4508162 0.89 REN (0.33) RENTSHRKMT2AMAPTTHRB
SCHEMBL4508163 0.87 KMT2A (0.35) RENTSHRKMT2AMAPTTHRB
SCHEMBL8004344 0.87 KMT2A (0.35) RENTSHRKMT2AMAPTTHRB
SCHEMBL8007993 0.86 REN (0.34) RENTSHRKMT2ARORC
SCHEMBL8225046 0.86 REN (0.34) RENTSHRKMT2ARORC
SCHEMBL4502016 0.85 REN (0.34) RENTSHRKMT2AMAPTTHRB
SCHEMBL8007301 0.84 REN (0.37) RENTSHRKMT2ARORC
SCHEMBL4512268 0.84 REN (0.35) RENTSHRKMT2AMAPTTHRB
SCHEMBL8007298 0.84 REN (0.36) RENTSHRKMT2ARORC
SCHEMBL4512336 0.84 REN (0.33) RENTSHRKMT2AMAPTTHRB

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 1/4885ACKR3 2774/4885TSHR 853/4885

“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.