SCHEMBL4322751

SCHEMBL4322751

O=CN(O)CC1CCc2ccccc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PYGL P06737 5/20 0.39
PYGM P11217 5/20 0.39
MAPT P10636 1/20 0.38
RIPK1 Q13546 1/20 0.37
CRBN Q96SW2 3/20 0.37
DDB1 Q16531 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL14443041 0.84 NPC1 (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4339456 0.80 CRBN (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4335722 0.78 GLA (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7691772 0.76 NPC1 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14614572 0.76 NPC1 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4332417 0.75 DDB1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3457244 0.73 NPC1 (0.45) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9278084 0.73 NPC1 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9186299 0.69 CRBN (0.54) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11118089 0.69 PYGL (0.38) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 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 (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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 NPC1 1383/4885MAPK13 4060/4885MAPK12 4118/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 NPC1 761/4885MAPK13 3080/4885MAPK12 3103/4885

“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.