SCHEMBL13698222

SCHEMBL13698222

Cc1ccc(C2CCNC2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.50
PDE4B Q07343 1/20 0.47
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2C P28335 2/20 0.44
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL5584693 0.90 HTR2C (0.54) KCNH2HTR2C
SCHEMBL13698229 0.87 HTR3A (0.54) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL16660426 0.84 HTR3A (0.59) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL724585 0.84 HTR3A (0.59) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL8640763 0.84 HTR3A (0.55) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL12806513 0.80 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL13499937 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL1823960 0.80 SLC6A2 (0.59) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL27825252 0.80 HTR3A (0.50) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL15247784 0.80 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3HTR2C

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 HTR3A 10/4885PDE4B 599/4885CYP2D6 190/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C HTR3A 10/4885PDE4B 599/4885CYP2D6 190/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C HTR3A 10/4885PDE4B 599/4885CYP2D6 190/4885

“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.