SCHEMBL3987350

SCHEMBL3987350

O=C(O)C1CC1(C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.48
CCR2 P41597 3/20 0.45
GRM5 P41594 1/20 0.41
KMO O15229 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
APP P05067 1/20 0.39
AKR1C3 P42330 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
AKR1C2 P52895 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4430170 0.98 SLC6A3 (0.47) SLC6A3CCR2GRM5KMOCYP3A4
SCHEMBL11082538 0.83 CCR2 (0.51) CCR2
SCHEMBL11082540 0.83 CCR2 (0.51) CCR2
SCHEMBL11074486 0.81 PTGS2 (0.43) CCR2TSHR
SCHEMBL11074488 0.81 PTGS2 (0.43) CCR2TSHR
SCHEMBL4196320 0.81 SLC6A3 (0.41) SLC6A3CCR2GRM5SLC6A4
SCHEMBL28266831 0.80 SLC6A3 (0.50) SLC6A3CCR2GRM5KMOCYP3A4
SCHEMBL11083629 0.79 HSD11B1 (0.45) CCR2
SCHEMBL11083627 0.79 HSD11B1 (0.45) CCR2
SCHEMBL5440180 0.79 TACR3 (0.46) SLC6A3CCR2GRM5SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161863-A1 PREPARATION AND USE OF (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN THE TREATMENT OF CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS MCKINNEY ANTHONY ALEXANDER (US) 2021-06-03 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-20180256542-A1 PREPARATION AND USE OF (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN THE TREATMENT OF CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS ETHISMOS RESEARCH, INC. 2018-09-13 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-9770436-B2 Polymorphs of azabicyclohexane EUTHYMICS BIOSCIENCE, INC. (US) 2017-09-26 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-20160346249-A1 USE OF AMITIFADINE, (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN METHODS AND COMPOSITIONS WITH ENHANCED EFFICACY AND REDUCED METABOLIC SIDE EFFECTS AND TOXICITY FOR TREATMENT OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS ETHISMOS RESEARCH, INC. 2016-12-01 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-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-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070043100-A1 Novel polymorphs of azabicyclohexane ETHISMOS RESEARCH, INC. 2007-02-22 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-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
WO-2006023659-A2 NOVEL POLYMORPHS OF AZABICYCLOHEXANE DOV PHARMACEUTICAL, INC. (US) 2006-03-02 WO disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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 (11 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 SLC6A3 112/4885CCR2 309/4885GRM5 149/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C SLC6A3 92/4885CCR2 428/4885GRM5 119/4885
US-20180000777-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A3 92/4885CCR2 428/4885GRM5 119/4885
US-20210161863-A1 PREPARATION AND USE OF (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN THE TREATMENT OF CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS COMT, SLC6A3, HTR3A SLC6A3 2/4885CCR2 1095/4885GRM5 485/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 SLC6A3 955/4885CCR2 123/4885GRM5 1042/4885
US-20190070148-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A3 92/4885CCR2 428/4885GRM5 119/4885
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A3 92/4885CCR2 428/4885GRM5 119/4885
US-20160158197-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A3 92/4885CCR2 428/4885GRM5 119/4885
US-20160346249-A1 USE OF AMITIFADINE, (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN METHODS AND COMPOSITIONS WITH ENHANCED EFFICACY AND REDUCED METABOLIC SIDE EFFECTS AND TOXICITY FOR TREATMENT OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS CYP2D6, MAOB, HTR1A SLC6A3 68/4885CCR2 1495/4885GRM5 1582/4885
US-20070043100-A1 Novel polymorphs of azabicyclohexane CYP3A43, CYP2D6, CYP26B1 SLC6A3 1079/4885CCR2 1654/4885GRM5 3421/4885
US-20180256542-A1 PREPARATION AND USE OF (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN THE TREATMENT OF CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS COMT, SLC6A3, HTR3A SLC6A3 2/4885CCR2 1095/4885GRM5 485/4885

“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.