SCHEMBL2267100

SCHEMBL2267100

CN1CCCC1CCn1c(Cc2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 1/20 0.43
FAAH O00519 2/20 0.42
CHRM3 P20309 1/20 0.42
ADRA2A P08913 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR6 P50406 2/20 0.41
CYP19A1 P11511 1/20 0.41
CHRNB1 P11230 1/20 0.39
CHRNB3 Q05901 1/20 0.39

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
SCHEMBL1121907 0.92 NOS3 (0.56) OPRM1NOS3NOS1CHRNB4CHRNA3
SCHEMBL2263047 0.87 OPRM1 (0.58) OPRM1NOS3NOS1CHRNB4CHRNA3
SCHEMBL12367467 0.83 NOS3 (0.56) OPRM1NOS3NOS1CHRNB2CHRNA4
SCHEMBL2264780 0.83 OPRM1 (0.54) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12608623 0.78 OPRM1 (0.55) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2125182 0.78 KMT2A (0.53) CNR1CNR2CYP19A1
SCHEMBL1122698 0.77 NOS3 (0.63) NOS3NOS1CHRNB2CHRNA4CHRM3
SCHEMBL2266718 0.75 CHRNB4 (0.50) OPRM1NOS3NOS1CHRNB4CHRNA3
SCHEMBL12608698 0.74 OPRM1 (0.51) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2267374 0.73 OPRM1 (0.47) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4

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 10 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
CN-101466709-B 1,5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC 2013-03-20 CN disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
CN-101466709-A 1, 5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2009-06-24 CN 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
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US 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 OPRM1 157/4885NOS3 2/4885NOS1 1/4885

“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.