SCHEMBL13698246

SCHEMBL13698246

COc1ccc2cc(C3CCNC3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
PDE4B Q07343 1/20 0.55
HTR3A P46098 2/20 0.50
HTR2A P28223 2/20 0.50
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1E P28566 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MAOA P21397 1/20 0.44

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
SCHEMBL5584716 0.90 HTR2C (0.69) HTR2CPDE4BHTR1AHTR1DHTR1B
SCHEMBL3552712 0.85 HTR3A (0.59) HTR2CPDE4BHTR3AHTR2AHTR1A
SCHEMBL28488068 0.85 HTR3A (0.59) HTR2CPDE4BHTR3AHTR2AHTR1A
SCHEMBL13698224 0.84 SLC6A2 (0.48) PDE4BHTR3AHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL2268492 0.83 HTR3A (0.58) HTR2CPDE4BHTR3AHTR2AHTR1A
SCHEMBL8049667 0.83 HTR2C (0.82) HTR2CPDE4BHTR3AHTR2AHTR1A
SCHEMBL1810242 0.83 HTR2C (0.82) HTR2CPDE4BHTR3AHTR2AHTR1A
SCHEMBL8032211 0.83 HTR2C (0.82) HTR2CPDE4BHTR3AHTR2AHTR1A
SCHEMBL1628502 0.82 SLC6A2 (0.51) HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4573066 0.81 HTR2C (0.82) HTR2CPDE4BHTR3AHTR2AHTR1A

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

“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.