SCHEMBL18463182

SCHEMBL18463182

CCS(=O)(=O)CCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.44
DUSP3 P51452 1/20 0.44
PAOX Q6QHF9 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44

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
SCHEMBL4342856 0.90 KEAP1 (0.54) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL25948808 0.82 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL24466284 0.82 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL2411125 0.80 KEAP1 (0.52) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL31457403 0.80 PAOX (0.44) SMN1; SMN2ALDH1A1HPGDPAOXKMT2A
SCHEMBL15732 0.80 KEAP1 (0.52) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL161681 0.78 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL13851213 0.78 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL4022655 0.78 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL1446166 0.78 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273143-B1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF DALIAN WZ PROBIOTICS AD HEALTH CO LTD (CN) 2025-05-21 EP disclosed
US-20240140941-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF DALIAN WZ PROBIOTICS AD HEALTH CO., LTD (CN) 2024-05-02 US disclosed
EP-4273143-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Dalian WZ Probiotics AD Health Co., Ltd (CN) 2023-11-08 EP disclosed
CN-114685456-B 2, 5-diketopiperazine compound derivative, preparation method thereof, pharmaceutical composition and application thereof 大连万众益生大健康有限公司 2023-10-10 CN disclosed
WO-2022144002-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 大连万众益生大健康有限公司 2022-07-07 WO disclosed
CN-114685456-A 2, 5-diketopiperazine compound derivative, preparation method thereof, pharmaceutical composition and application thereof 大连万众益生大健康有限公司 2022-07-01 CN disclosed
US-20170029469-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. 2017-02-02 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-20240140941-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF WEE1, WEE2, CYP51A1 KEAP1 1025/4885SMN1; SMN2 3775/4885ALDH1A1 1962/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 KEAP1 4008/4885SMN1; SMN2 4747/4885ALDH1A1 4113/4885

“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.