SCHEMBL3984092

SCHEMBL3984092

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.53
CCR2 P41597 2/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL11076736 0.84 CCR2 (0.47) ADAM17CCR2SLC6A4SLC6A3
SCHEMBL11075435 0.81 ADAM17 (0.49) ADAM17CCR2
SCHEMBL5792422 0.81 SLC6A4 (0.47) ADAM17SLC6A4SLC6A3
SCHEMBL13734024 0.81 ADAM17 (0.43) ADAM17CCR2SLC6A4SLC6A3
SCHEMBL24389394 0.81 ADAM17 (0.43) ADAM17CCR2SLC6A4SLC6A3
SCHEMBL24389415 0.81 ADAM17 (0.43) ADAM17CCR2SLC6A4SLC6A3
SCHEMBL15468836 0.81 ADAM17 (0.46) ADAM17SLC6A4SLC6A3
SCHEMBL11078227 0.80 OPRM1 (0.53) ADAM17SLC6A4SLC6A3
SCHEMBL2475551 0.80 ADAM17 (0.45) ADAM17SLC6A4SLC6A3
SCHEMBL11078230 0.80 OPRM1 (0.53) ADAM17SLC6A4SLC6A3

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 21 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-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-9770436-B2 Polymorphs of azabicyclohexane EUTHYMICS BIOSCIENCE, INC. (US) 2017-09-26 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-20160008324-A1 NOVEL POLYMORPHS OF AZABICYCLOHEXANE ETHISMOS RESEARCH, INC. 2016-01-14 US disclosed
US-9139521-B2 Polymorphs of azabicyclohexane EUTHYMICS BIOSCIENCE, INC. (US) 2015-09-22 US disclosed
US-8765801-B2 Polymorphs of azabicyclohexane EUTHYMICS BIOSCIENCE, INC. (US) 2014-07-01 US disclosed
US-20140039029-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. 2014-02-06 US disclosed
US-20130345279-A1 NOVEL POLYMORPHS OF AZABICYCLOHEXANE ETHISMOS RESEARCH, INC. 2013-12-26 US disclosed
EP-2646019-A1 PREPARATION AND USE OF (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN THE TREATMENT OF CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS Euthymic Bioscience, Inc. (US) 2013-10-09 EP disclosed
WO-2012075473-A1 PREPARATION AND USE OF (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN THE TREATMENT OF CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS EUTHYMIC BIOSCIENCE, INC. (US) 2012-06-07 WO disclosed
US-20120136038-A1 Novel Polymorphs Of Azabicyclohexane ETHISMOS RESEARCH, INC. 2012-05-31 US disclosed
US-20110294847-A1 Novel Polymorphs Of Azabicyclohexane ETHISMOS RESEARCH, INC. 2011-12-01 US disclosed
US-20090326245-A1 Novel Polymorphs of Azabicyclohexane ETHISMOS RESEARCH, INC. 2009-12-31 US disclosed
EP-1786417-A4 NOVEL POLYMORPHS OF AZABICYCLOHEXANE DOV PHARMACEUTICAL INC (US) 2009-05-20 EP disclosed
US-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 US disclosed
US-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 US disclosed
EP-1786417-A2 NOVEL POLYMORPHS OF AZABICYCLOHEXANE DOV Pharmaceutical, Inc. (US) 2007-05-23 EP disclosed
US-20070043100-A1 Novel polymorphs of azabicyclohexane ETHISMOS RESEARCH, INC. 2007-02-22 US disclosed
WO-2006023659-A2 NOVEL POLYMORPHS OF AZABICYCLOHEXANE DOV PHARMACEUTICAL, INC. (US) 2006-03-02 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 (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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES CYP1B1, CYP2B6, CYP2D6 ADAM17 4084/4885CCR2 372/4885SLC6A4 2230/4885
US-20130345279-A1 NOVEL POLYMORPHS OF AZABICYCLOHEXANE CYP3A43, CYP2D6, CYP26B1 ADAM17 3439/4885CCR2 1654/4885SLC6A4 1901/4885
US-20090326245-A1 Novel Polymorphs of Azabicyclohexane CYP3A43, CYP2D6, CYP26B1 ADAM17 3439/4885CCR2 1654/4885SLC6A4 1901/4885
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 ADAM17 3287/4885CCR2 1095/4885SLC6A4 25/4885
US-20140039029-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 ADAM17 3287/4885CCR2 1095/4885SLC6A4 25/4885
US-20160008324-A1 NOVEL POLYMORPHS OF AZABICYCLOHEXANE CYP3A43, CYP2D6, CYP26B1 ADAM17 3439/4885CCR2 1654/4885SLC6A4 1901/4885
US-20110294847-A1 Novel Polymorphs Of Azabicyclohexane CYP3A43, CYP2D6, CYP26B1 ADAM17 3439/4885CCR2 1654/4885SLC6A4 1901/4885
US-20120136038-A1 Novel Polymorphs Of Azabicyclohexane CYP3A43, CYP2D6, CYP1B1 ADAM17 3407/4885CCR2 1423/4885SLC6A4 1933/4885
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 ADAM17 1624/4885CCR2 1495/4885SLC6A4 89/4885
US-20070043100-A1 Novel polymorphs of azabicyclohexane CYP3A43, CYP2D6, CYP26B1 ADAM17 3439/4885CCR2 1654/4885SLC6A4 1901/4885
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 ADAM17 3287/4885CCR2 1095/4885SLC6A4 25/4885

“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.