SCHEMBL13698232

SCHEMBL13698232

CCOc1ccc2cc(C3CCN(C)C3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
DRD2 P14416 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
LCK P06239 4/20 0.42
KCNH2 Q12809 2/20 0.42
ABL1 P00519 2/20 0.42
MAPT P10636 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL13698225 0.84 HTR1A (0.51) SLC6A4DRD2HTR1AHTR1DHTR1B
SCHEMBL13698231 0.79 SLC6A4 (0.61) SLC6A4DRD2KDM4EHTR1AHTR1D
SCHEMBL11142685 0.78 ABL1 (0.41) SLC6A4DRD2KDM4ETSHRHTR3A
SCHEMBL11142680 0.78 ABL1 (0.41) SLC6A4DRD2KDM4ETSHRHTR3A
SCHEMBL4576760 0.78 SLC6A4 (0.45) SLC6A4DRD2KDM4ETSHRABL1
SCHEMBL11135012 0.77 ESR2 (0.42) SLC6A4DRD2KDM4ETSHRABL1
SCHEMBL11135019 0.77 ESR2 (0.42) SLC6A4DRD2KDM4ETSHRABL1
SCHEMBL11140593 0.76 CYP2C9 (0.46) SLC6A4DRD2KDM4ETSHRKCNH2
SCHEMBL11140585 0.76 CYP2C9 (0.46) SLC6A4DRD2KDM4ETSHRKCNH2
SCHEMBL12251550 0.75 DRD2 (0.58) SLC6A4DRD2KDM4ETSHRHTR2C

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 35/4885KDM4E 778/4885
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 35/4885KDM4E 778/4885
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 35/4885KDM4E 778/4885

“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.