SCHEMBL6488974

SCHEMBL6488974

CC(C)(C)OC(=O)NCCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.64
SLC6A4 P31645 12/20 0.64
CYP2D6 P10635 10/20 0.64
SLC6A2 P23975 10/20 0.64
KCNH2 Q12809 2/20 0.48
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL7651383 0.83 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6488980 0.81 NOS2 (0.65) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6502548 0.81 SLC6A4 (0.78) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6490961 0.79 SLC6A4 (0.76) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6491911 0.78 NOS2 (1.00) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6492678 0.78 NOS2 (0.75) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6500993 0.77 NOS2 (0.83) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6489391 0.77 NOS2 (0.81) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL7689280 0.77 SLC6A4 (0.72) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6492748 0.77 SLC6A4 (0.72) NOS2SLC6A4CYP2D6SLC6A2KCNH2

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 NOS2 3/4885SLC6A4 2468/4885CYP2D6 49/4885

“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.