SCHEMBL3470063

SCHEMBL3470063

COc1ccc(CN2C(=O)C=C(Br)C2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HSP90AA1 P07900 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
MAPK10 P53779 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44
UTS2R Q9UKP6 1/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL16158991 0.89 RGS4 (0.52) RGS4KMT2AALDH1A1HSP90AA1LMNA
SCHEMBL17080644 0.89 RGS4 (0.52) RGS4KMT2AALDH1A1HSP90AA1LMNA
SCHEMBL13698258 0.83 KMT2A (0.55) KMT2AALDH1A1HSP90AA1SIGMAR1MAPK10
SCHEMBL3201607 0.81 RGS4 (0.64) RGS4KMT2AALDH1A1MAPTGAA
SCHEMBL1542663 0.79 HSP90AA1 (0.71) KMT2AALDH1A1HSP90AA1SIGMAR1CA2
SCHEMBL4628903 0.77 KMT2A (0.55) KMT2AALDH1A1HSP90AA1SIGMAR1MAPK10
SCHEMBL3201920 0.75 APLNR (0.48) RGS4KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8242388 0.75 KMT2A (0.52) KMT2AALDH1A1LMNASMN1; SMN2TP53
SCHEMBL4854039 0.75 NR1H3 (0.62) KMT2AALDH1A1LMNATP53MAPT
SCHEMBL10341825 0.74 KMT2A (0.57) KMT2AALDH1A1HSP90AA1SIGMAR1CA2

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 39 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-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-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-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-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ETHISMOS RESEARCH, INC. 2017-07-20 US disclosed
US-9597315-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments EUTHYMICS BIOSCIENCE, INC. (US) 2017-03-21 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
WO-2008153937-A2 NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV PHARMACEUTICAL, INC. (US) 2008-12-18 WO disclosed
WO-2008153937-A2 NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV PHARMACEUTICAL, INC. (US) 2008-12-18 WO disclosed
EP-1915146-A2 NOVEL 1-ARYL-3-AZABICYCLOÝ3.1.0¨HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS DOV Pharmaceutical, Inc. (US) 2008-04-30 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-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-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-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 (6 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 RGS4 760/4885KMT2A 940/4885ALDH1A1 152/4885
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C RGS4 1048/4885KMT2A 1841/4885ALDH1A1 372/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C RGS4 658/4885KMT2A 998/4885ALDH1A1 176/4885
US-20180000777-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C RGS4 658/4885KMT2A 998/4885ALDH1A1 176/4885
US-20190070148-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C RGS4 658/4885KMT2A 998/4885ALDH1A1 176/4885
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C RGS4 658/4885KMT2A 998/4885ALDH1A1 176/4885

“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.