SCHEMBL24059231

SCHEMBL24059231

CNCc1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.34
SLC6A4 P31645 5/20 0.33
HTR2A P28223 4/20 0.33
RIPK1 Q13546 1/20 0.33
STIM1 Q13586 2/20 0.33
ORAI1 Q96D31 2/20 0.33
KCNH2 Q12809 4/20 0.33
TAAR1 Q96RJ0 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
PLK4 O00444 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 1/20 0.32
EPAS1 Q99814 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL19356339 0.85 SLC6A2 (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL22623063 0.81 BCAT2 (0.33) SLC6A4TAAR1MAPT
SCHEMBL25376811 0.78 SLC6A4 (0.36) RAPGEF4SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL18803854 0.77 ALDH1A1 (0.36) ALDH1A1RAPGEF4RIPK1STIM1ORAI1
SCHEMBL2091126 0.75 GPR84 (0.38) ALDH1A1RAPGEF4RIPK1TAAR1GPR84
SCHEMBL6072037 0.75 TAAR1 (0.43) ALDH1A1TAAR1GPR84KDM4EMEN1
SCHEMBL13452521 0.75 SLC6A4 (0.41) SLC6A4HTR2ARIPK1KCNH2SLC6A2
SCHEMBL29912949 0.75 SLC6A4 (0.41) SLC6A4HTR2ARIPK1KCNH2SLC6A2
SCHEMBL22482741 0.75 ALDH1A1 (0.36) ALDH1A1RAPGEF4RIPK1STIM1ORAI1
Hydrochloric Acid SCHEMBL29210672 0.73 KDM4E (0.44) ALDH1A1TAAR1GPR84KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677598-B Preparation method for synthesizing pyrimidinedione compound 南通常佑药业科技有限公司 2024-11-01 CN disclosed
US-12037343-B2 Process for the preparation of sodium (2r,5s,13ar)-7,9-dioxo-10-((2,4,6,-trifluorobenzyl)carbamoyl)-2,3,4,5,7,9,13,13A-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-B] [1,3] oxazepin-8-olate and its polymorphic form HONOUR LAB LIMITED (IN) 2024-07-16 US disclosed
US-20230219977-A1 PROCESS FOR THE PREPARATION OF SODIUM (2R,5S,13AR)-7,9-DIOXO-10-((2,4,6-TRIFLUOROBENZYL)CARBAMOYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B] [1,3] OXAZEPIN-8-OLATE AND ITS POLYMORPHIC FORM HONOUR LAB LIMITED (IN) 2023-07-13 US disclosed
WO-2022258052-A1 HETEROCYCLIC LACTAM COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-12-15 WO disclosed
US-20210363158-A1 PROCESS FOR THE PREPARATION OF SODIUM (2R,5S,13AR)-7,9-DIOXO-10-((2,4,6-TRIFLUOROBENZYL)CARBAMOYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B] [1,3] OXAZEPIN-8-OLATE AND ITS POLYMORPHIC FORM HONOUR LAB LIMITED (IN) 2021-11-25 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 (3 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-20210363158-A1 PROCESS FOR THE PREPARATION OF SODIUM (2R,5S,13AR)-7,9-DIOXO-10-((2,4,6-TRIFLUOROBENZYL)CARBAMOYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B] [1,3] OXAZEPIN-8-OLATE AND ITS POLYMORPHIC FORM OXER1, CYP4Z1, CYP4A11 ALDH1A1 671/4885RAPGEF4 2233/4885SLC6A4 906/4885
US-12037343-B2 Process for the preparation of sodium (2r,5s,13ar)-7,9-dioxo-10-((2,4,6,-trifluorobenzyl)carbamoyl)-2,3,4,5,7,9,13,13A-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-B] [1,3] oxazepin-8-olate and its polymorphic form OXER1, OR10J3, CYP2A13 ALDH1A1 577/4885RAPGEF4 2073/4885SLC6A4 1134/4885
US-20230219977-A1 PROCESS FOR THE PREPARATION OF SODIUM (2R,5S,13AR)-7,9-DIOXO-10-((2,4,6-TRIFLUOROBENZYL)CARBAMOYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B] [1,3] OXAZEPIN-8-OLATE AND ITS POLYMORPHIC FORM OXER1, CYP26B1, OR10J3 ALDH1A1 777/4885RAPGEF4 2337/4885SLC6A4 1203/4885

“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.