SCHEMBL13698231

SCHEMBL13698231

CN1CCC(c2ccc3ccccc3c2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.61
DRD2 P14416 1/20 0.61
SLC6A2 P23975 5/20 0.56
SLC6A3 Q01959 5/20 0.56
CYP2D6 P10635 4/20 0.56
KCNH2 Q12809 3/20 0.56
LSS P48449 1/20 0.55
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR3A P46098 1/20 0.51
HTR5A P47898 1/20 0.51
KDM4E B2RXH2 1/20 0.47
QDPR P09417 1/20 0.46

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
SCHEMBL10268348 0.90 SLC6A4 (0.69) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL13698225 0.83 HTR1A (0.51) SLC6A4DRD2SLC6A2SLC6A3KCNH2
SCHEMBL14136275 0.81 DRD2 (0.71) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL13698236 0.80 SLC6A4 (0.54) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL13698232 0.79 SLC6A4 (0.47) SLC6A4DRD2SLC6A2SLC6A3KCNH2
SCHEMBL6198518 0.78 DRD2 (0.55) DRD2HTR1AHTR1DHTR1BHTR2A
SCHEMBL6200948 0.78 DRD2 (0.55) DRD2HTR1AHTR1DHTR1BHTR2A
SCHEMBL826215 0.78 DRD2 (0.55) DRD2HTR1AHTR1DHTR1BHTR2A
SCHEMBL22728563 0.77 SLC6A4 (0.50) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL5756822 0.76 SLC6A4 (0.57) SLC6A4DRD2SLC6A2SLC6A3CYP2D6

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 SLC6A4 221/4885DRD2 35/4885SLC6A2 276/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C SLC6A4 221/4885DRD2 35/4885SLC6A2 276/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A4 221/4885DRD2 35/4885SLC6A2 276/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 SLC6A4 1519/4885DRD2 3505/4885SLC6A2 1776/4885

“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.