SCHEMBL18191950

SCHEMBL18191950

O=C(N[C@@H](CI)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ CASP3 P42574 2/20 0.55
▸ MDM2 Q00987 5/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ SLC17A5 Q9NRA2 1/20 0.50
▸ TLR2 O60603 1/20 0.49

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
SCHEMBL31348872 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21639432 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL25357928 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL31427181 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21639211 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21639208 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8895610 0.89 MDM4 (0.62) MDM4TP53CASP3MDM2KMT2A
SCHEMBL242522 0.88 KMT2A (0.51) MDM4TP53CASP3MDM2KMT2A
SCHEMBL242521 0.88 KMT2A (0.51) MDM4TP53CASP3MDM2KMT2A
SCHEMBL30092486 0.88 KMT2A (0.51) MDM4TP53CASP3MDM2KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373835-A1 MACROCYLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-29 — — EP disclosed
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 — — EP disclosed
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 — — WO disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 — — US disclosed
WO-2023234425-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF ペプチドリーム株式会社 2023-12-07 — — WO disclosed
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 — — WO disclosed
US-20230312479-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-10-05 — — US disclosed
WO-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 — — WO disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 — — US disclosed
EP-3315499-B1 Crystal of (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MAN CO LTD (JP) 2021-04-07 — — EP disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 — — US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 — — EP disclosed
CN-107614504-B Crystals of carboxamide compound 卫材R&D管理有限公司 2019-12-24 — — CN disclosed
US-10259817-B2 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-04-16 — — US disclosed
US-10221183-B2 — — 2019-03-05 — — US disclosed
US-20180141950-A1 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-24 — — US disclosed
EP-3315499-A1 CRYSTAL OF (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]- 4,7-DIOXO-8-({6-[3-(PIPERAZIN-1-YL)AZETIDIN-1-YL]PYRIDIN- 2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2018-05-02 — — EP disclosed
EP-3088401-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-11-02 — — EP 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 (8 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 MDM4 4837/4885TP53 3017/4885CASP3 822/4885
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 MDM4 4154/4885TP53 1409/4885CASP3 2306/4885
US-10221183-B2 — NT5C, HTR2C, HTR3C MDM4 936/4885TP53 3998/4885CASP3 162/4885
US-20230312479-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP MDM4 1740/4885TP53 1257/4885CASP3 4173/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 MDM4 4154/4885TP53 1409/4885CASP3 2306/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP MDM4 1648/4885TP53 614/4885CASP3 2783/4885
US-10259817-B2 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide NT5C, HTR2C, HTR1D MDM4 3121/4885TP53 4533/4885CASP3 212/4885
US-20180141950-A1 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide NT5C, HTR2C, HTR1D MDM4 3121/4885TP53 4533/4885CASP3 212/4885

“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.

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