SCHEMBL4077655

SCHEMBL4077655

CC(C)[C@@H]1CC(=O)C[C@@H](C(C)C)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 4/20 0.37
PREP P48147 3/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
HSD11B1 P28845 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
SCHEMBL13609108 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL4077659 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL4039249 0.81 P2RX4 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL4039245 0.81 P2RX4 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL15723644 0.80 NR1H2 (0.40) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL14555385 0.80 NR1H2 (0.40) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL31080746 0.78 CHRM2 (0.36) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL643400 0.78 NR1H3 (0.44) NR1H2NR1H3MAPTNPC1ALDH1A1
SCHEMBL9885648 0.77 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL13096648 0.77 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CHRM2 1620/4885CHRM1 907/4885CHRM3 2224/4885

“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.