SCHEMBL6490913

SCHEMBL6490913

N#Cc1ccc(C(F)(F)F)cc1O[C@H](CCN)c1ccon1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.48
SLC6A4 P31645 11/20 0.48
SLC6A2 P23975 9/20 0.48
CYP2D6 P10635 7/20 0.48
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
KCNK2 O95069 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN9A Q15858 1/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TRPV4 Q9HBA0 2/20 0.32

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 SCHEMBL6490624 0.92 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6SLC6A3
Fumaric Acid SCHEMBL6490629 0.92 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6SLC6A3
SCHEMBL6501101 0.84 NOS2 (0.63) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6491496 0.83 NOS2 (0.65) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6489634 0.82 NOS2 (0.50) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6503738 0.79 SLC6A2 (0.74) NOS2SLC6A4SLC6A2CYP2D6SLC6A3
SCHEMBL6050326 0.79 NOS2 (0.67) NOS2SLC6A4SLC6A2CYP2D6SCN9A
Fumaric Acid SCHEMBL6490771 0.76 NOS2 (0.61) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Fumaric Acid SCHEMBL6490777 0.76 NOS2 (0.61) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6050398 0.76 NOS2 (0.39) NOS2SLC6A4SLC6A2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US claimed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP claimed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US claimed
JP-2003523988-A 2003-08-12 JP claimed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885SLC6A4 2468/4885SLC6A2 1776/4885

“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.