SCHEMBL13698236

SCHEMBL13698236

CC(C)N1CCC(c2ccc3ccccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
DRD2 P14416 2/20 0.54
DRD3 P35462 1/20 0.48
ESRRG P62508 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ESRRB O95718 1/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 5/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNH2 Q12809 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
LSS P48449 1/20 0.41
HTR4 Q13639 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
SCHEMBL16425977 0.91 SLC6A4 (0.60) SLC6A4DRD2ESRRGKDM4EESRRB
SCHEMBL2603285 0.80 HRH3 (0.56) DRD2DRD3ESRRGESRRBESR1
SCHEMBL12609017 0.80 HRH3 (0.56) DRD2DRD3ESRRGESRRBESR1
SCHEMBL12609029 0.80 HRH3 (0.56) DRD2DRD3ESRRGESRRBESR1
SCHEMBL13698231 0.80 SLC6A4 (0.61) SLC6A4DRD2KDM4ECYP2D6SLC6A2
SCHEMBL23384128 0.78 HTT (0.46) DRD2DRD3CYP2D6CYP3A4
SCHEMBL16980529 0.78 HPGD (0.46) DRD2DRD3ESRRGESRRBESR1
SCHEMBL14136275 0.77 DRD2 (0.71) SLC6A4DRD2DRD3KDM4ECYP2D6
SCHEMBL13698254 0.77 SLC6A4 (0.56) SLC6A4DRD2DRD3CYP2D6SLC6A2
SCHEMBL14545786 0.77 DRD3 (0.46) SLC6A4DRD2DRD3ESRRGESRRB

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 3 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

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

For each of this compound's patents that has machine-readable text (3 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 35/4885DRD3 32/4885
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 35/4885DRD3 32/4885
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 35/4885DRD3 32/4885

“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.