SCHEMBL4728513

SCHEMBL4728513

COC(=O)C1CC1(C#N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.46
SLC6A3 Q01959 8/20 0.46
OPRM1 P35372 1/20 0.39
CCR2 P41597 2/20 0.39
SLC6A2 P23975 4/20 0.38

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
SCHEMBL8215573 1.00 SLC6A4 (0.46) SLC6A4SLC6A3OPRM1CCR2SLC6A2
SCHEMBL8218564 1.00 SLC6A4 (0.46) SLC6A4SLC6A3OPRM1CCR2SLC6A2
SCHEMBL8218290 0.90 CCR2 (0.41) SLC6A4SLC6A3CCR2SLC6A2
SCHEMBL14255658 0.83 SLC6A3 (0.45) SLC6A4SLC6A3OPRM1CCR2SLC6A2
SCHEMBL8216816 0.83 SLC6A3 (0.45) SLC6A4SLC6A3OPRM1CCR2SLC6A2
SCHEMBL8208270 0.83 SLC6A3 (0.45) SLC6A4SLC6A3OPRM1CCR2SLC6A2
SCHEMBL3984092 0.77 ADAM17 (0.53) SLC6A4SLC6A3CCR2
SCHEMBL3522150 0.72 SLC6A4 (0.54) SLC6A4SLC6A3OPRM1CCR2
SCHEMBL728994 0.71 SLC6A4 (0.45) SLC6A4SLC6A3OPRM1SLC6A2
SCHEMBL10001912 0.71 SLC6A4 (0.45) SLC6A4SLC6A3OPRM1SLC6A2

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 5 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
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 (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 982/4885OPRM1 2248/4885

“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.