SCHEMBL450533

SCHEMBL450533

Cc1ccc(OBOc2ccc(C)c(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
AMY1A P0DUB6 1/20 0.30
KDM1A O60341 1/20 0.30
TUBB1 Q9H4B7 2/20 0.30
TUBB4A P04350 1/20 0.30

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
SCHEMBL15339921 0.83 MRGPRX4 (0.40) MRGPRX4HDAC1HDAC6ACHESLC6A2
SCHEMBL177568 0.83 HTR2A (0.40) ACHESLC6A4RAB9AKMT2A
SCHEMBL177743 0.79 SOS1 (0.41) SLC6A4
SCHEMBL177356 0.79 TDP1 (0.44) SLC6A4NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL29804592 0.79 TDP1 (0.44) SLC6A4NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL9979977 0.77 MRGPRX4 (0.41) MRGPRX4HDAC1HDAC6ACHESLC6A2
SCHEMBL171839 0.77 CYP1A2 (0.47) MRGPRX4ACHESLC6A2SLC6A4SLC6A3
SCHEMBL13130874 0.76 MRGPRX4 (0.40) MRGPRX4HDAC1HDAC6ACHESLC6A2
Ammonia Solution, Strong SCHEMBL27831764 0.76 CYP1A2 (0.46) MRGPRX4ACHESLC6A2SLC6A4SLC6A3
SCHEMBL23218 0.75 RAB9A (0.46) NPC1ALDH1A1RAB9AL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302041-A1 PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2025-10-02 US disclosed
EP-4541188-A1 PLANT DISEASE CONTROL METHOD Sumitomo Chemical Company, Limited (JP) 2025-04-23 EP disclosed
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders DOV PHARMACEUTICAL, INC. 2021-01-28 US disclosed
US-20190070148-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders DOV PHARMACEUTICAL, INC. 2019-03-07 US disclosed
US-10039746-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL, INC. (US) 2018-08-07 US disclosed
US-20180000777-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders EUTHYMICS BIOSCIENCE, INC. 2018-01-04 US disclosed
US-9737506-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders NEUROVANCE, INC. (US) 2017-08-22 US disclosed
US-20160158197-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders EUTHYMICS BIOSCIENCE, INC. 2016-06-09 US disclosed
US-9205074-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders NEUROVANCE, INC. (US) 2015-12-08 US disclosed
US-20150148399-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders EUTHYMICS BIOSCIENCE, INC. 2015-05-28 US disclosed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 EP disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
WO-2007016155-A2 NOVEL 1-ARYL-3-AZABICYCLO[3.1.0]HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-08 WO disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 WO disclosed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO disclosed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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 (10 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-10039746-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1D, HTR1B MRGPRX4 2558/4885HDAC1 237/4885HDAC6 605/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C MRGPRX4 2231/4885HDAC1 274/4885HDAC6 571/4885
US-20180000777-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C MRGPRX4 2231/4885HDAC1 274/4885HDAC6 571/4885
US-20150148399-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C MRGPRX4 2231/4885HDAC1 274/4885HDAC6 571/4885
US-20190070148-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C MRGPRX4 2231/4885HDAC1 274/4885HDAC6 571/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B MRGPRX4 484/4885HDAC1 429/4885HDAC6 1234/4885
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C MRGPRX4 2231/4885HDAC1 274/4885HDAC6 571/4885
US-20160158197-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C MRGPRX4 2231/4885HDAC1 274/4885HDAC6 571/4885
US-20250302041-A1 PLANT DISEASE CONTROL METHOD H1-3, RER1, C5 MRGPRX4 1158/4885HDAC1 2098/4885HDAC6 2372/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 MRGPRX4 124/4885HDAC1 429/4885HDAC6 420/4885

“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.