SCHEMBL2267253

SCHEMBL2267253

O=[N+]([O-])c1ccc2c(C3=CN4CCC3CC4)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.51
CHRM4 P08173 4/20 0.51
CHRM5 P08912 4/20 0.51
CHRM1 P11229 4/20 0.51
CHRM3 P20309 4/20 0.51
NOS1 P29475 2/20 0.48
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
CLK1 P49759 2/20 0.46
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
SLC6A4 P31645 2/20 0.42
PTPRA P18433 1/20 0.39
DAO P14920 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM1A O60341 1/20 0.37
ELANE P08246 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL12367629 1.00 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12253750 0.91 SLC6A4 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1122492 0.91 SLC6A4 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12367627 0.79 NOS1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2264789 0.79 NOS1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4311598 0.75 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3337136 0.73 APP (0.57) NOS1NOS3NOS2SLC6A4
SCHEMBL12253743 0.71 NOS1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15712649 0.70 ELANE (0.62) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL14362278 0.69 CLK1 (0.46) CLK1CDK5CDK5R1PKMPKLR

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 CHRM2 790/4885CHRM4 898/4885CHRM5 286/4885

“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.