SCHEMBL4737501

SCHEMBL4737501

CNC1CCN(CC(C)C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.61
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
POLB P06746 1/20 0.36
HDAC1 Q13547 2/20 0.33
PRMT1 Q99873 2/20 0.32
ACE P12821 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PER2 O15055 3/20 0.31
BIRC2 Q13490 1/20 0.31
CRY2 Q49AN0 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL14170147 0.88 PIK3CD (0.51) PIK3CDACEBIRC2MMP1MMP3
SCHEMBL14170355 0.85 PIK3CD (0.57) PIK3CDPIK3R1PIK3CAPOLBHDAC1
SCHEMBL14170329 0.80 PIK3CD (0.46) PIK3CDPOLBPER2
SCHEMBL12747512 0.79 PIK3CD (0.35) PIK3CDHDAC1ACEHDAC8HDAC6
SCHEMBL12747445 0.79 PIK3CD (0.35) PIK3CDHDAC1ACEHDAC8HDAC6
SCHEMBL14170735 0.79 PIK3CD (0.45) PIK3CDPOLB
SCHEMBL14170670 0.79 PIK3CD (0.45) PIK3CDPOLBPRMT1
SCHEMBL14170429 0.78 PIK3CD (0.43) PIK3CDPOLB
SCHEMBL14170812 0.78 PIK3CD (0.44) PIK3CDPOLB
SCHEMBL14170230 0.78 PIK3CD (0.44) PIK3CDPOLBPRMT1

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-8168798-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-01 US disclosed
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 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-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 PIK3CD 865/4885PIK3R1 1718/4885PIK3CA 696/4885
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS CASP1, CASP5, CASP2 PIK3CD 865/4885PIK3R1 1718/4885PIK3CA 696/4885

“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.