Radafaxine

Radafaxine

SCHEMBL3453734

C[C@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 1.00
SLC6A2 P23975 20/20 1.00
CHRNB4 P30926 20/20 1.00
CHRNA3 P32297 20/20 1.00
CHRNA4 P43681 20/20 1.00
SLC6A3 Q01959 19/20 1.00
CHRNA1 P02708 19/20 1.00
CHRNB1 P11230 19/20 1.00
CHRNG P07510 18/20 1.00
CHRND Q07001 18/20 1.00
SLC6A4 P31645 10/20 1.00

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
Radafaxine SCHEMBL30486031 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL29751668 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL29465705 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL3453827 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL2599138 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL13014841 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL48964 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL14521595 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL5478077 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL3154016 1.00 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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
EP-1759701-B1 Buproprion Metabolites for treating dementia and other cerebrovascular disorders SEPRACOR INC (US) 2010-12-22 EP claimed
EP-1759701-B1 Buproprion Metabolites for treating dementia and other cerebrovascular disorders SEPRACOR INC (US) 2010-12-22 EP disclosed
US-20100125070-A1 Bupropion Metabolites and Methods of Their Synthesis and Use FANG KEVIN QUN 2010-05-20 US disclosed
US-20100125070-A1 Bupropion Metabolites and Methods of Their Synthesis and Use FANG KEVIN QUN 2010-05-20 US disclosed
EP-1759701-A2 Buproprion Metabolites and Methods of Their Synthesis and Use. Sepracor, Inc. (US) 2007-03-07 EP 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-20100125070-A1 Bupropion Metabolites and Methods of Their Synthesis and Use MAOB, MAOA, HTR5A CHRNB2 25/4885SLC6A2 6/4885CHRNB4 15/4885

“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.