SCHEMBL857045

SCHEMBL857045

NCc1c(F)cc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.42
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.36
DPP4 P27487 1/20 0.34
IDO1 P14902 4/20 0.33
AGXT P21549 2/20 0.33
RIPK1 Q13546 1/20 0.32
HTR2A P28223 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL4649158 0.85 ALDH1A1 (0.41) TAAR1LOXL2ALDH1A1DPP4
SCHEMBL1398120 0.85 TAAR1 (0.37) TAAR1LOXL2ALDH1A1DPP4IDO1
SCHEMBL24959625 0.83 TAAR1 (0.45) TAAR1ALDH1A1
SCHEMBL30350528 0.83 TAAR1 (0.36) TAAR1LOXL2ALDH1A1DPP4HTR2A
SCHEMBL15819889 0.83 TAAR1 (0.36) TAAR1LOXL2ALDH1A1DPP4HTR2A
SCHEMBL29467951 0.80 TAAR1 (0.41) TAAR1LOXL2ALDH1A1HTR2A
SCHEMBL15819455 0.80 TAAR1 (0.65) TAAR1ALDH1A1HTR2AHTR2C
SCHEMBL13527771 0.80 LOXL2 (0.42) TAAR1LOXL2HTR2A
SCHEMBL1764730 0.78 TAAR1 (0.39) TAAR1DPP4IDO1HTR2AHTR2C
SCHEMBL856734 0.78 TAAR1 (0.39) TAAR1IDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431155-A Method for synthesizing 2,4, 6-trifluoro-benzylamine by one-pot method 浙江永太科技股份有限公司 2025-02-14 CN claimed
CN-115015310-B Analysis method of sulfhydryl compound 宁波大学 2024-12-10 CN claimed
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 claimed
CN-117185935-A Method for preparing 2,4, 6-trifluoro-benzylamine by catalytic hydrogenation 大连奇凯医药科技有限公司 2023-12-08 CN claimed
CN-110963922-B Preparation method of 2,4, 6-trifluoro-benzylamine 成都博腾药业有限公司 2023-09-05 CN claimed
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 claimed
CN-115015310-A Analytical method of sulfhydryl compound 宁波大学 2022-09-06 CN claimed
CN-112457197-B Preparation method of compound 2, 4, 6-trifluorobenzylamine 浙江丽晶化学有限公司 2022-05-13 CN claimed
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 claimed
CN-112457197-A Preparation method of compound 2, 4, 6-trifluorobenzylamine 浙江丽晶化学有限公司 2021-03-09 CN claimed
CN-107778183-B Preparation method of 2,4, 6-trifluorobenzylamine 杭州澳赛诺生物科技有限公司 2020-05-22 CN claimed
CN-110819338-A Composite fluorescent particle protected by super-hydrophobic shell layer and preparation method thereof 重庆大学 2020-02-21 CN claimed
US-20200035418-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES 2020-01-30 US claimed
CN-110683959-A Synthetic method of 2,4, 6-trifluorobenzylamine 浙江中欣氟材股份有限公司 2020-01-14 CN claimed
WO-2020007032-A1 METHOD FOR SYNTHESIZING 2,4,6-TRIFLUOROBENZYLAMINE 浙江中欣氟材股份有限公司 2020-01-09 WO claimed
WO-2018152494-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES (US) 2018-08-23 WO claimed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 TAAR1 3770/4885LOXL2 2109/4885ALDH1A1 68/4885
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 TAAR1 710/4885LOXL2 2093/4885ALDH1A1 671/4885
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 TAAR1 775/4885LOXL2 1875/4885ALDH1A1 577/4885
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 TAAR1 681/4885LOXL2 1565/4885ALDH1A1 777/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP TAAR1 965/4885LOXL2 2266/4885ALDH1A1 1142/4885

“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.