SCHEMBL6503738

SCHEMBL6503738

N#Cc1ccc(C(F)(F)F)cc1O[C@H](CCN)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.74
SLC6A4 P31645 12/20 0.74
NOS2 P35228 12/20 0.74
CYP2D6 P10635 10/20 0.74
KCNH2 Q12809 3/20 0.60
SLC6A3 Q01959 2/20 0.60
KCNK2 O95069 1/20 0.60
CACNA1C Q13936 1/20 0.60
SLC7A5 Q01650 4/20 0.50

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
Oxalic Acid SCHEMBL6491750 0.94 NOS2 (0.72) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6504005 0.85 SLC6A4 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6502994 0.84 SLC6A2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6492468 0.81 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6490554 0.81 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL8022633 0.81 SLC6A2 (0.71) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6491456 0.81 NOS2 (0.97) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6501874 0.80 SLC6A4 (0.74) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL231999 0.80 SLC6A4 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL28116844 0.80 SLC6A4 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2

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-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

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 SLC6A2 1776/4885SLC6A4 2468/4885NOS2 3/4885

“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.