SCHEMBL2406493

SCHEMBL2406493

CC(COCc1ccc(Br)cc1)CO[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
MAOB P27338 3/20 0.33
APP P05067 1/20 0.33
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CTSD P07339 2/20 0.32
TACR1 P25103 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2406488 1.00 IDO1 (0.38) IDO1MAOBAPPKMT2ANPC1
SCHEMBL481295 0.81 IDO1 (0.47) IDO1MAOBAPPKMT2ANPC1
SCHEMBL2408911 0.81 LPL (0.39) KMT2ACA1CA2HTT
SCHEMBL2408912 0.81 LPL (0.39) KMT2ACA1CA2HTT
SCHEMBL1013889 0.80 IDO1 (0.42) IDO1MAOBAPPKMT2ACA1
SCHEMBL556155 0.80 IDO1 (0.42) IDO1MAOBAPPKMT2ACA1
SCHEMBL2408881 0.77 IDO1 (0.42) IDO1MAOBAPPKMT2ACA1
SCHEMBL2408874 0.77 IDO1 (0.42) IDO1MAOBAPPKMT2ACA1
SCHEMBL2405469 0.73 IDO1 (0.45) IDO1MAOBAPPKMT2ARAB9A
SCHEMBL2405472 0.73 IDO1 (0.45) IDO1MAOBAPPKMT2ARAB9A

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 1 patent. 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

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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 IDO1 3753/4885MAOB 891/4885APP 3596/4885

“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.