SCHEMBL4464854

SCHEMBL4464854

CCCCCC1(C(=O)OC)CC1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
POLA1 P09884 2/20 0.35
DNTT P04053 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.33
EPHX1 P07099 1/20 0.33
NAAA Q02083 1/20 0.32
PRKCA P17252 5/20 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
SCHEMBL4478707 0.75 POLA1 (0.33) CYP4F2CYP4A11POLA1DNTTPOLB
SCHEMBL18621596 0.75 POLA1 (0.36) CYP4F2CYP4A11POLA1DNTTPOLB
SCHEMBL1908101 0.70 SLC6A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL22064251 0.70 CYP2D6 (0.36) POLA1DNTTCYP1A2CYP3A4CYP2D6
SCHEMBL4814367 0.69 AKT1 (0.44) CYP4F2CYP4A11NAAA
SCHEMBL4810968 0.68 AKT1 (0.46) CYP4F2CYP4A11NAAA
SCHEMBL27566082 0.68 EPHX2 (0.31) POLA1ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL27517255 0.67 GNAI3 (0.33) ALDH1A1EPHX2
SCHEMBL11029945 0.67 SLC6A2 (0.37) CYP2D6KDM4E
SCHEMBL29265308 0.67 POLA1 (0.37) CYP4F2CYP4A11POLA1DNTTPOLB

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 20 patents. 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-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
EP-2719384-B1 Novel 1-naphthyl-3-azabicyclo[3.1.0]hexanes:preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL INC (US) 2018-08-08 EP 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
US-8877798-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders NEUROVANCE, INC. (US) 2014-11-04 US disclosed
EP-2719384-A1 Novel 1 -naphthyl-3-azabicyclo[3.1.0]hexanes:preparation and use to treat neurophychiatric disorders Euthymic Bioscience, Inc. (US) 2014-04-16 EP disclosed
US-20130345439-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2013-12-26 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-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
EP-1874298-A4 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV PHARMACEUTICAL INC (US) 2009-08-05 EP disclosed
EP-1874298-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV Pharmaceutical Inc. (US) 2008-01-09 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
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US disclosed
WO-2006096810-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3.1.0] HEXANES DOV PHARMACEUTICAL, INC. (US) 2006-09-14 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-20130345439-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-10039746-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1D, HTR1B CYP4F2 530/4885CYP4A11 143/4885POLA1 3749/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20180000777-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20150148399-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20190070148-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 CYP4F2 305/4885CYP4A11 329/4885POLA1 3199/4885
US-20160158197-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP4F2 573/4885CYP4A11 171/4885POLA1 3794/4885

“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.