SCHEMBL6495015

SCHEMBL6495015

N#Cc1ccc(C(F)(F)F)cc1S[C@H](CCN)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.70
SLC6A4 P31645 12/20 0.70
NOS2 P35228 11/20 0.70
CYP2D6 P10635 10/20 0.70
SLC6A3 Q01959 2/20 0.42
KCNK2 O95069 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.38
SLC7A5 Q01650 4/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
Fumaric Acid SCHEMBL6504303 0.92 NOS2 (0.74) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Fumaric Acid SCHEMBL6504307 0.92 NOS2 (0.74) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
SCHEMBL6505773 0.82 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6494416 0.75 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6494424 0.75 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6503738 0.75 SLC6A2 (0.74) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
SCHEMBL5653417 0.72 NOS2 (0.81) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5652171 0.71 NOS2 (0.79) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Oxalic Acid SCHEMBL6491750 0.71 NOS2 (0.72) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
SCHEMBL8113801 0.70 MAOA (0.51) SLC6A2SLC6A4NOS2CYP2D6SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US claimed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP claimed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 US claimed
EP-1263718-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062721-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 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 (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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 SLC6A2 1769/4885SLC6A4 1977/4885NOS2 8/4885

“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.