SCHEMBL13698254

SCHEMBL13698254

CC(C)N1CCC(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.56
SLC6A2 P23975 5/20 0.56
SLC6A3 Q01959 5/20 0.56
KCNH2 Q12809 4/20 0.56
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CYP2D6 P10635 4/20 0.46
HRH3 Q9Y5N1 2/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 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
SCHEMBL25758981 0.90 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL13698216 0.87 DRD2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL26869113 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL25758180 0.79 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL13698262 0.79 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL16980529 0.79 HPGD (0.46) KCNH2DRD2DRD3HRH3
SCHEMBL1824340 0.79 SLC6A2 (0.79) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL27014674 0.78 KCNH2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL14545786 0.78 DRD3 (0.46) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL13698236 0.77 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2DRD2

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 221/4885SLC6A2 276/4885SLC6A3 92/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C SLC6A4 221/4885SLC6A2 276/4885SLC6A3 92/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A4 221/4885SLC6A2 276/4885SLC6A3 92/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 SLC6A4 1519/4885SLC6A2 1776/4885SLC6A3 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.