SCHEMBL4727099

SCHEMBL4727099

NCC1(c2ccc(Cl)c(Cl)c2)CC1CO

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 0.56
SLC6A4 P31645 16/20 0.56
SLC6A2 P23975 3/20 0.46

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
SCHEMBL4878506 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL765515 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL10001914 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL14255653 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL19238714 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL1365176 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL7953922 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL4728286 0.98 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL729968 0.87 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL734761 0.87 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2

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 6 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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 US disclosed
US-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 US disclosed
WO-2008013856-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL -3-AZABICYCLO[3.1.0 ] HEXANES DOV PHARMACEUTICAL, INC. (US) 2008-01-31 WO disclosed
WO-2008013856-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL -3-AZABICYCLO[3.1.0 ] HEXANES DOV PHARMACEUTICAL, INC. (US) 2008-01-31 WO 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 SLC6A3 92/4885SLC6A4 221/4885SLC6A2 276/4885
US-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES CYP1B1, CYP2B6, CYP2D6 SLC6A3 982/4885SLC6A4 2230/4885SLC6A2 3023/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A3 92/4885SLC6A4 221/4885SLC6A2 276/4885

“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.