SCHEMBL8002232

SCHEMBL8002232

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.33
THRB P10828 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RORC P51449 3/20 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
SCHEMBL4510550 0.90 KMT2A (0.38) RENBACE1TSHRKMT2ASMN1; SMN2
SCHEMBL8007298 0.90 REN (0.36) RENBACE1TSHRKMT2ASMN1; SMN2
SCHEMBL4495264 0.89 REN (0.35) RENTSHRKMT2A
SCHEMBL4508163 0.88 KMT2A (0.35) RENTHRBMAPTTSHRKMT2A
SCHEMBL8004344 0.88 KMT2A (0.35) RENTHRBMAPTTSHRKMT2A
SCHEMBL4506756 0.87 PKM (0.34) RENTHRBALDH1A1CYP2C19MAPT
SCHEMBL8007301 0.87 REN (0.37) RENBACE1TSHRKMT2ASMN1; SMN2
SCHEMBL8007291 0.87 REN (0.33) RENCYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4494535 0.87 ALDH1A1 (0.38) THRBALDH1A1CYP3A4CYP2D6KMT2A
SCHEMBL4492527 0.87 REN (0.33) RENTHRBMAPTTSHRKMT2A

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 4 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
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 1/4885THRB 1934/4885ALDH1A1 466/4885

“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.