SCHEMBL6498567

SCHEMBL6498567

Cc1cc(O[C@H](CCN)c2ccccc2)c(C#N)cc1F

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.74
SLC6A4 P31645 14/20 0.74
NOS2 P35228 13/20 0.74
CYP2D6 P10635 12/20 0.74
KCNH2 Q12809 3/20 0.51
SLC6A3 Q01959 2/20 0.42
KCNK2 O95069 1/20 0.42
CACNA1C Q13936 1/20 0.42
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
THPO P40225 1/20 0.40

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 SCHEMBL6489847 0.92 NOS2 (0.68) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6489851 0.92 NOS2 (0.68) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6493021 0.90 SLC6A4 (0.61) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6500977 0.89 SLC6A4 (0.63) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL28116844 0.85 SLC6A4 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6501874 0.85 SLC6A4 (0.74) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL231999 0.85 SLC6A4 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Oxalic Acid SCHEMBL6499628 0.81 SLC6A4 (0.77) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Oxalic Acid SCHEMBL6491911 0.81 NOS2 (1.00) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6492468 0.80 NOS2 (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.