SCHEMBL21554954

SCHEMBL21554954

CCCC1CN(C(C)=O)CCN1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
PARP1 P09874 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PARP2 Q9UGN5 1/20 0.31
RECQL P46063 1/20 0.30
OPRK1 P41145 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL23544835 0.83 JAK3 (0.35) MEN1KMT2APKMPOLBL3MBTL1
SCHEMBL12566544 0.76 PIK3CD (0.39) PIK3CDKMT2ACYP1A2TDP1CHRNB2
SCHEMBL17999702 0.76 PIK3CD (0.39) PIK3CDKMT2ACYP1A2TDP1CHRNB2
SCHEMBL25840836 0.74 PKM (0.35) MEN1KMT2APKMPOLBL3MBTL1
SCHEMBL26815280 0.74 PKM (0.35) MEN1KMT2APKMPOLBL3MBTL1
SCHEMBL26620069 0.74 PKM (0.35) MEN1KMT2APKMPOLBL3MBTL1
SCHEMBL25704492 0.74 PIK3CD (0.40) PIK3CDKMT2ACYP1A2TDP1CHRNB2
SCHEMBL28719855 0.73 PARP1 (0.37) PIK3CDMEN1KMT2APKMPOLB
SCHEMBL28719857 0.73 PARP1 (0.37) PIK3CDMEN1KMT2APKMPOLB
SCHEMBL23261688 0.72 CHRNB2 (0.37) PIK3CDMEN1KMT2ACHRNB2CHRNA3

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
US-11154563-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-10-26 US disclosed
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2019-11-07 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-11154563-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 PIK3CD 3174/4885MEN1 3108/4885KMT2A 989/4885
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 PIK3CD 3174/4885MEN1 3108/4885KMT2A 989/4885

“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.