SCHEMBL8216844

SCHEMBL8216844

O=C1NC[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.55
SLC6A3 Q01959 13/20 0.55
SLC6A2 P23975 12/20 0.55
CYP1A2 P05177 5/20 0.55
CYP2D6 P10635 5/20 0.55
KCNH2 Q12809 5/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP1A1 P04798 4/20 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
SCHEMBL13698296 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL8215648 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL4879280 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL4194614 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL16335918 0.98 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL14255639 0.87 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL16383221 0.87 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL16387061 0.78 CCR2 (0.36) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL13621242 0.77 SLC6A2 (0.61) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6
SCHEMBL13382379 0.77 SLC6A2 (0.61) SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6

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-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

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

For each of this compound's patents that has machine-readable text (1 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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES CYP1B1, CYP2B6, CYP2D6 SLC6A4 2230/4885SLC6A3 982/4885SLC6A2 3023/4885

“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.