SCHEMBL8004948

SCHEMBL8004948

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
BACE1 P56817 1/20 0.33
RORC P51449 7/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSD P07339 1/20 0.32
MCHR1 Q99705 2/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
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
NPY5R Q15761 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
SCHEMBL8001171 0.90 KMT2A (0.36) RENRORCCTSDTSHRKMT2A
SCHEMBL8228289 0.90 KMT2A (0.36) RENRORCCTSDTSHRKMT2A
SCHEMBL8002303 0.90 KMT2A (0.36) RENRORCCTSDTSHRKMT2A
SCHEMBL4502016 0.88 REN (0.34) RENBACE1MCHR1TSHRKMT2A
SCHEMBL4508162 0.86 REN (0.33) RENBACE1TSHRKMT2AHTR4
SCHEMBL2923919 0.85 REN (0.34) RENRORCMCHR1KMT2AKCNH2
SCHEMBL2923921 0.85 REN (0.34) RENRORCMCHR1KMT2AKCNH2
SCHEMBL13601245 0.85 KMT2A (0.35) RENBACE1RORCCTSDTSHR
SCHEMBL8001572 0.85 KMT2A (0.35) RENBACE1RORCCTSDTSHR
SCHEMBL13601239 0.85 REN (0.35) RENBACE1RORCTSHRKMT2A

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 1/4885BACE1 1580/4885RORC 3652/4885

“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.