SCHEMBL16822525

SCHEMBL16822525

C[C@@H]1CN(C2CN(C(c3ccccc3)c3ccccc3)C2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC1 Q13547 1/20 0.40
SETD7 Q8WTS6 1/20 0.40
MAP4K4 O95819 1/20 0.39
CACNA1A O00555 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNB1 Q02641 2/20 0.39
ATM Q13315 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
CACNA1C Q13936 1/20 0.38
RAB9A P51151 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL16822486 1.00 SLC6A9 (0.43) SLC6A9KMT2AMEN1HDAC1SETD7
SCHEMBL18271394 0.87 SLC6A9 (0.56) SLC6A9KMT2AMEN1CACNA1ACACNA2D1
SCHEMBL28602480 0.87 SLC6A9 (0.56) SLC6A9KMT2AMEN1CACNA1ACACNA2D1
SCHEMBL18271130 0.87 SLC6A9 (0.56) SLC6A9KMT2AMEN1CACNA1ACACNA2D1
SCHEMBL18191951 0.85 SLC6A9 (0.49) SLC6A9KMT2AMEN1CACNA1ACACNA2D1
SCHEMBL18191949 0.85 SLC6A9 (0.49) SLC6A9KMT2AMEN1CACNA1ACACNA2D1
SCHEMBL694333 0.84 KMT2A (0.50) KMT2AMEN1ATMRAB9AGPR119
SCHEMBL5136397 0.80 KMT2A (0.46) KMT2AMEN1ATMRAB9AGPR119
SCHEMBL14035363 0.78 LMNA (0.45) SLC6A9KMT2AMEN1HDAC1SETD7
SCHEMBL4097080 0.78 LMNA (0.45) SLC6A9KMT2AMEN1HDAC1SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO 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
US-9174998-B2 (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) 2015-11-03 US disclosed
US-9174998-B2 (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) 2015-11-03 US disclosed
US-9174998-B2 (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) 2015-11-03 US disclosed
WO-2015098853-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 エーザイ・アール・アンド・ディー・マネジメント株式会社 2015-07-02 WO disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 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 (1 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-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound WNT1, WNT3A, WNT3 SLC6A9 1620/4885KMT2A 1166/4885MEN1 3488/4885

“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.