SCHEMBL6490535

SCHEMBL6490535

N#Cc1ccc(Cl)cc1OC(CCN)c1ccc(Br)nc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.67
CYP2D6 P10635 12/20 0.67
SLC6A2 P23975 12/20 0.67
SLC6A4 P31645 12/20 0.67
KCNH2 Q12809 2/20 0.49
S1PR3 Q99500 3/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34

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 SCHEMBL6501478 0.94 NOS2 (0.71) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6492468 0.80 NOS2 (1.00) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6490554 0.80 NOS2 (1.00) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL7604530 0.80 NOS2 (0.43) NOS2CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL6491456 0.79 NOS2 (0.97) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL25412202 0.79 NOS2 (0.68) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26316538 0.77 NOS2 (0.62) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26316623 0.77 NOS2 (0.62) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26316655 0.76 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26316657 0.76 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4KCNH2

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 3/4885CYP2D6 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.