SCHEMBL2409526

SCHEMBL2409526

COC[C@@H](C)COCc1ccc(B(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.43
LIPG Q9Y5X9 7/20 0.43
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
ENPP2 Q13822 3/20 0.39
KMT2A Q03164 1/20 0.38
F11 P03951 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MGLL Q99685 1/20 0.37
LYPLA1 O75608 1/20 0.36
LYPLA2 O95372 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL2408912 0.82 LPL (0.39) LPLLIPGCA2CA1ENPP2
SCHEMBL2408911 0.82 LPL (0.39) LPLLIPGCA2CA1ENPP2
SCHEMBL2406622 0.80 LPL (0.48) LPLLIPGCA2CA1ENPP2
SCHEMBL7604498 0.80 AGXT (0.44) CA2CA1KMT2A
SCHEMBL1013889 0.78 IDO1 (0.42) CA2CA1KMT2AHTT
SCHEMBL556155 0.78 IDO1 (0.42) CA2CA1KMT2AHTT
SCHEMBL7863791 0.78 TSHR (0.52) CA2CA1KMT2AHTT
SCHEMBL4545488 0.78 TSHR (0.52) CA2CA1KMT2AHTT
SCHEMBL13002270 0.78 TSHR (0.52) CA2CA1KMT2AHTT
SCHEMBL104085 0.77 LPL (0.58) LPLLIPGCA2CA1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 US disclosed
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG 2010-10-07 US disclosed
EP-2212317-A1 4,4-DISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
EP-2212315-A1 TRISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009053452-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-30 WO disclosed
WO-2009050253-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-23 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 (2 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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 LPL 2373/4885LIPG 1550/4885CA2 510/4885
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES REN, AGTR1, AGTR2 LPL 3316/4885LIPG 2310/4885CA2 672/4885

“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.