SCHEMBL6489165

SCHEMBL6489165

N#Cc1ccc(Cl)cc1OC(CCCl)c1ccno1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.50
SLC6A4 P31645 13/20 0.50
CYP2D6 P10635 11/20 0.50
SLC6A2 P23975 11/20 0.50
KCNH2 Q12809 2/20 0.47
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL6491319 0.89 NOS2 (0.64) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6492130 0.89 NOS2 (0.49) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6491241 0.84 NOS2 (0.69) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6503984 0.84 NOS2 (0.49) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6504708 0.81 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Oxalic Acid SCHEMBL6504705 0.80 NOS2 (0.53) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6492120 0.78 NOS2 (0.49) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6490710 0.78 NOS2 (0.79) NOS2SLC6A4CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6492460 0.77 NOS2 (0.77) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL7608216 0.76 NOS2 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1235870-C Novel use of phenyl hetero alkylamine derivatives ASTRAZENECA AB (SE) 2006-01-11 CN disclosed
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
CN-1411435-A Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-16 CN 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.