SCHEMBL2262483

SCHEMBL2262483

CN1CCCC1CCn1c(Cc2ccc(OC(F)(F)F)cc2)cc2cc(N=C(N)c3cccs3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 19/20 0.71
NOS1 P29475 19/20 0.71
OPRM1 P35372 1/20 0.63
NOS2 P35228 11/20 0.59
KCNH2 Q12809 2/20 0.52

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
SCHEMBL2262117 0.90 NOS3 (0.88) NOS3NOS1OPRM1NOS2KCNH2
SCHEMBL1122088 0.83 NOS3 (1.00) NOS3NOS1OPRM1NOS2KCNH2
SCHEMBL2262457 0.83 NOS3 (0.51) NOS3NOS1OPRM1NOS2
SCHEMBL2262329 0.83 NOS1 (0.60) NOS3NOS1OPRM1NOS2
SCHEMBL2263081 0.81 NOS3 (0.75) NOS3NOS1OPRM1NOS2KCNH2
SCHEMBL12367469 0.80 NOS1 (0.43) NOS3NOS1OPRM1
SCHEMBL1594001 0.78 NOS3 (0.99) NOS3NOS1OPRM1NOS2
SCHEMBL2261754 0.76 NOS3 (0.98) NOS3NOS1NOS2KCNH2
SCHEMBL2263047 0.75 OPRM1 (0.58) NOS3NOS1OPRM1
SCHEMBL2267223 0.74 NOS3 (0.62) NOS3NOS1OPRM1NOS2KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
EP-2010527-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2009-01-07 EP disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 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-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 NOS3 2/4885NOS1 1/4885OPRM1 157/4885

“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.