SCHEMBL6500811

SCHEMBL6500811

COc1ccc(C#N)c(O[C@H](CCN(C)C(=O)O)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.71
CYP2D6 P10635 10/20 0.71
SLC6A2 P23975 10/20 0.71
SLC6A4 P31645 10/20 0.71
KCNH2 Q12809 2/20 0.47
SLC6A9 P48067 2/20 0.47

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
SCHEMBL7649077 0.86 NOS2 (0.54) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL7649085 0.86 NOS2 (0.54) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6500819 0.80 NOS2 (0.73) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6491411 0.79 SLC6A4 (1.00) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6493113 0.79 SLC6A4 (0.87) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL6492078 0.79 SLC6A4 (0.87) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL6504301 0.78 SLC6A4 (0.98) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Oxalic Acid SCHEMBL9824494 0.77 NOS2 (0.55) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL7429997 0.74 CYP2D6 (0.57) CYP2D6SLC6A2SLC6A4KCNH2SLC6A9
SCHEMBL5280197 0.74 CYP2D6 (0.57) CYP2D6SLC6A2SLC6A4KCNH2SLC6A9

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 3/4885CYP2D6 49/4885SLC6A2 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.