SCHEMBL4184614

SCHEMBL4184614

Cc1cc(C23CC2C(=O)N(C)C3=O)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.59
BACE1 P56817 4/20 0.43
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
CTSD P07339 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL4181298 0.89 CYP19A1 (0.59) CYP19A1BACE1
SCHEMBL4190208 0.89 CYP19A1 (0.62) CYP19A1BACE1
SCHEMBL4771129 0.85 CYP19A1 (0.58) CYP19A1
SCHEMBL6002297 0.81 CYP19A1 (0.72) CYP19A1BACE1POLB
SCHEMBL11076987 0.78 CYP19A1 (0.72) CYP19A1BACE1CTSDBACE2
SCHEMBL6003692 0.76 CYP19A1 (0.57) CYP19A1BACE1CTSDBACE2
SCHEMBL2779577 0.75 CYP19A1 (1.00) CYP19A1
SCHEMBL6003496 0.74 CYP19A1 (0.67) CYP19A1
SCHEMBL11078445 0.74 CYP19A1 (0.71) CYP19A1BACE1CTSDBACE2REN
SCHEMBL4190715 0.73 CYP19A1 (0.50) CYP19A1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-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-8461196-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders DOV PHARMACEUTICAL 2013-06-11 US disclosed
US-8461196-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders DOV PHARMACEUTICAL 2013-06-11 US disclosed
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 US disclosed
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 US 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
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

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

For each of this compound's patents that has machine-readable text (7 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885BACE1 128/4885POLB 2571/4885
US-10039746-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1D, HTR1B CYP19A1 737/4885BACE1 140/4885POLB 2499/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885BACE1 128/4885POLB 2571/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885BACE1 128/4885POLB 2571/4885
US-20180000777-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885BACE1 128/4885POLB 2571/4885
US-20190070148-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885BACE1 128/4885POLB 2571/4885
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885BACE1 128/4885POLB 2571/4885

“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.