SCHEMBL20564929

SCHEMBL20564929

COC(=O)CN(Cc1ccccc1CN1CCC1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CALCB P10092 1/20 0.39
ADM2 Q7Z4H4 1/20 0.39
CYP2D6 P10635 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KDM4E B2RXH2 4/20 0.35
CYP3A4 P08684 1/20 0.35
MPO P05164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34

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
SCHEMBL20563873 0.88 MEN1 (0.43) MEN1KMT2ACALCBADM2HDAC3
SCHEMBL3406057 0.78 HDAC3 (0.39) CALCBADM2HDAC3HDAC1HDAC2
SCHEMBL20565289 0.76 HDAC3 (0.38) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL23257193 0.75 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2
SCHEMBL31039445 0.75 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2
SCHEMBL3398769 0.74 CA2 (0.46)
SCHEMBL20563853 0.73 RIPK1 (0.37) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL20238374 0.73 RIPK1 (0.42) KDM4EALDH1A1POLBMAPT
SCHEMBL12894958 0.72 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2
SCHEMBL21257824 0.72 ALDH1A1 (0.36) HDAC3HDAC1HDAC2NCOR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 EP disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 WO 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 MEN1 11/4885KMT2A 4639/4885CALCB 133/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 MEN1 11/4885KMT2A 4639/4885CALCB 133/4885

“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.