SCHEMBL3471202

SCHEMBL3471202

c1cnc2ccc(C34CNCC3C4)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.66
SLC6A4 P31645 10/20 0.66
SLC6A3 Q01959 10/20 0.66
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 3/20 0.52
KCNH2 Q12809 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A1 P04798 2/20 0.47

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
SCHEMBL3373318 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL31285069 0.82 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL3469769 0.82 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL4194713 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL4177088 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL13698302 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL16214791 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL13698169 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL16213933 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Centanafadine SCHEMBL4187417 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments NEUROVANCE, INC. (US) 2014-10-09 US claimed
EP-2167083-A2 NOVEL 1- HETEROARYL-3-AZABICYCLOÝ3.1.0¨HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV Pharmaceutical, Inc. (US) 2010-03-31 EP claimed
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 claimed
US-20240409514-A1 METHODS FOR INHIBITING NATIVE AND PROMISCUOUS UPTAKE OF MONOAMINE NEUROTRANSMITTERS ETHISMOS RESEARCH, INC. (US) 2024-12-12 US disclosed
US-20210047268-A1 METHODS FOR INHIBITING NATIVE AND PROMISCUOUS UPTAKE OF MONOAMINE NEUROTRANSMISTTERS ETHISMOS RESEARCH, INC. 2021-02-18 US disclosed
US-20180215710-A1 METHODS FOR INHIBITING NATIVE AND PROMISCUOUS UPTAKE OF MONOAMINE NEUROTRANSMITTERS EUTHYMICS BIOSCIENCE, INC. 2018-08-02 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-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-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
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-2167083-B1 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EUTHYMICS BIOSCIENCE INC (US) 2015-10-28 EP disclosed
US-9133159-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments NEUROVANCE, INC. (US) 2015-09-15 US disclosed
US-9133159-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments NEUROVANCE, INC. (US) 2015-09-15 US disclosed
US-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments NEUROVANCE, INC. (US) 2014-10-09 US disclosed
US-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments NEUROVANCE, INC. (US) 2014-10-09 US disclosed
US-20140228421-A1 Methods For Inhibiting Native And Promiscuous Uptake Of Monoamine Neurotransmitters ETHISMOS RESEARCH, INC. 2014-08-14 US disclosed
US-20090069374-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes, Methods For Their Preparation And Their Use As Medicaments ETHISMOS RESEARCH, INC. 2009-03-12 US disclosed
US-20090069374-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes, Methods For Their Preparation And Their Use As Medicaments ETHISMOS RESEARCH, INC. 2009-03-12 US 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

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-20210047268-A1 METHODS FOR INHIBITING NATIVE AND PROMISCUOUS UPTAKE OF MONOAMINE NEUROTRANSMISTTERS SLC18A2, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 5/4885SLC6A3 3/4885
US-20140228421-A1 Methods For Inhibiting Native And Promiscuous Uptake Of Monoamine Neurotransmitters SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A4 5/4885SLC6A3 4/4885
US-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments HTR3C, HTR2C, CNR1 SLC6A2 385/4885SLC6A4 364/4885SLC6A3 206/4885
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C SLC6A2 407/4885SLC6A4 476/4885SLC6A3 226/4885
US-20180215710-A1 METHODS FOR INHIBITING NATIVE AND PROMISCUOUS UPTAKE OF MONOAMINE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A4 5/4885SLC6A3 4/4885
US-20090069374-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes, Methods For Their Preparation And Their Use As Medicaments HTR3C, HTR2C, GRIN2C SLC6A2 407/4885SLC6A4 476/4885SLC6A3 226/4885
US-20240409514-A1 METHODS FOR INHIBITING NATIVE AND PROMISCUOUS UPTAKE OF MONOAMINE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A4 5/4885SLC6A3 4/4885

“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.