SCHEMBL13698226

SCHEMBL13698226

Cc1ccc(C2CCN(C)C2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNH2 Q12809 1/20 0.47
QDPR P09417 2/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL22643268 0.90 QDPR (0.56) SLC6A2SLC6A4SLC6A3QDPRTLR7
SCHEMBL13698242 0.87 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL1820343 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL1824008 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL20145465 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL13698251 0.81 TLR7 (0.46) SLC6A2SLC6A4SLC6A3HTR1ATLR7
SCHEMBL14136276 0.80 DRD2 (0.44) SLC6A2SLC6A4SLC6A3TLR7DRD2
SCHEMBL1825557 0.79 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL15247784 0.79 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL2606075 0.78 NPC1 (0.47) SLC6A2SLC6A4SLC6A3KCNH2QDPR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A2 276/4885SLC6A4 221/4885SLC6A3 92/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C SLC6A2 276/4885SLC6A4 221/4885SLC6A3 92/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A2 276/4885SLC6A4 221/4885SLC6A3 92/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 SLC6A2 1776/4885SLC6A4 1519/4885SLC6A3 955/4885

“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.