SCHEMBL13698261

SCHEMBL13698261

CCCCN1CCC(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.61
DRD2 P14416 8/20 0.61
HTR1A P08908 7/20 0.61
DRD1 P21728 7/20 0.61
DRD4 P21917 7/20 0.61
DRD5 P21918 7/20 0.61
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL24685377 0.96 DRD3 (0.62) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL13698247 0.91 DRD2 (0.60) DRD3DRD2DRD1DRD4DRD5
SCHEMBL13698240 0.85 SLC6A2 (0.57) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL27015512 0.80 DRD2 (0.53) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL13974994 0.80 DRD3 (0.61) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL1824340 0.79 SLC6A2 (0.79) HTR1ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13698262 0.78 SLC6A2 (0.57) DRD2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2926315 0.78 DRD2 (0.52) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL25946287 0.77 DRD2 (0.69) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL21148627 0.76 DRD3 (0.71) DRD3DRD2HTR1ADRD1DRD4

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 DRD3 32/4885DRD2 35/4885HTR1A 5/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C DRD3 32/4885DRD2 35/4885HTR1A 5/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C DRD3 32/4885DRD2 35/4885HTR1A 5/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 DRD3 3066/4885DRD2 3505/4885HTR1A 192/4885

“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.