SCHEMBL21403728

SCHEMBL21403728

C=CCN(C(=O)OC(C)(C)C)C(C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL21403730 1.00 SMN1; SMN2 (0.38) SMN1; SMN2NFKB1NFKB2RELAHDAC6
SCHEMBL21403608 0.83 L3MBTL1 (0.32) HDAC6MEN1KMT2AHDAC1HDAC2
SCHEMBL6935567 0.83 L3MBTL1 (0.32) HDAC6MEN1KMT2AHDAC1HDAC2
SCHEMBL10634002 0.83 L3MBTL1 (0.32) HDAC6MEN1KMT2AHDAC1HDAC2
SCHEMBL27309422 0.83 NFKB1 (0.38) SMN1; SMN2NFKB1NFKB2RELAHDAC6
SCHEMBL21403646 0.82 HDAC6 (0.31) HDAC6MEN1KMT2A
SCHEMBL25838348 0.81 MEN1 (0.36) HDAC6MEN1KMT2AHDAC1HDAC2
SCHEMBL18649433 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NFKB1NFKB2RELAHDAC6
SCHEMBL25165313 0.78 HDAC6 (0.33) HDAC6MEN1KMT2AHDAC1HDAC2
SCHEMBL21403595 0.77 FAAH (0.31) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774843-B1 DIPEPTIDE PIPERIDINE DERIVATIVES MOLECURE SA (PL) 2022-05-25 EP disclosed
US-10851099-B2 Dipeptide piperidine derivatives Oncoarendi Therapeutics S.A. (PL) 2020-12-01 US disclosed
US-20190300525-A1 DIPEPTIDE PIPERIDINE DERIVATIVES Oncoarendi Therapeutics S.A. (PL) 2019-10-03 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-10851099-B2 Dipeptide piperidine derivatives ARG1, ARG2, PEPD SMN1; SMN2 1563/4885NFKB1 324/4885NFKB2 440/4885
US-20190300525-A1 DIPEPTIDE PIPERIDINE DERIVATIVES ARG1, ARG2, PEPD SMN1; SMN2 1563/4885NFKB1 324/4885NFKB2 440/4885

“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.