SCHEMBL6501546

SCHEMBL6501546

N#Cc1ccc(Cl)cc1OC(CCN)c1ncco1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.61
SLC6A4 P31645 12/20 0.61
CYP2D6 P10635 10/20 0.61
SLC6A2 P23975 10/20 0.61
KCNH2 Q12809 2/20 0.45
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
XDH P47989 1/20 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
Oxalic Acid SCHEMBL6493096 0.94 NOS2 (0.67) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6490842 0.85 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2
SCHEMBL25412202 0.80 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6553383 0.80 NOS2 (0.39) NOS2SLC6A4CYP2D6SLC6A2
SCHEMBL6491319 0.80 NOS2 (0.64) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6497943 0.79 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2
SCHEMBL6501101 0.79 NOS2 (0.63) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6499946 0.78 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6493136 0.77 NOS2 (0.60) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6490554 0.76 NOS2 (1.00) 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 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 2468/4885CYP2D6 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.