SCHEMBL22387906

SCHEMBL22387906

N#CCC(=O)N1CCC[C@H](OC(N)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 14/20 0.40
JAK3 P52333 14/20 0.40
JAK1 P23458 13/20 0.40
TYK2 P29597 4/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
GSK3B P49841 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
KCNH2 Q12809 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
SCHEMBL22388263 0.82 JAK3 (0.39) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL28523191 0.78 ATM (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13724137 0.77 JAK3 (0.44) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL22620113 0.77 JAK3 (0.44) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL28857047 0.77 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18525632 0.75 CHRM2 (0.44) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL28999414 0.75 ATM (0.43) ALDH1A1
SCHEMBL28928304 0.74 ATM (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21634671 0.74 HPGD (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14426034 0.74 ALDH1A1 (0.63) MEN1ALDH1A1MAPTKMT2A

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-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 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-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 MEN1 3171/4885ALDH1A1 3439/4885MAPT 1095/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 MEN1 3171/4885ALDH1A1 3439/4885MAPT 1095/4885

“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.