SCHEMBL2267374

SCHEMBL2267374

CN1CCCC1CCn1c(-c2ccc([N+](=O)[O-])cc2)cc2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
CHRM3 P20309 2/20 0.44
CHRNB4 P30926 5/20 0.41
CHRNA3 P32297 5/20 0.41
CYP19A1 P11511 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB1 P11230 1/20 0.37
CHRNB3 Q05901 1/20 0.37
ADRA2A P08913 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
HTR6 P50406 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL2267791 0.89 OPRM1 (0.47) OPRM1CHRM3CHRNB4CHRNA3CYP19A1
SCHEMBL12391647 0.84 NOS1 (0.40) OPRM1CHRM3CHRNB2CHRNA4ADRA2A
SCHEMBL2268653 0.80 LMNA (0.45) CYP19A1HRH3
SCHEMBL2267223 0.80 NOS3 (0.62) OPRM1
SCHEMBL2264780 0.79 OPRM1 (0.54) OPRM1CHRM3CHRNB4CHRNA3CYP19A1
SCHEMBL2267216 0.79 CHRM3 (0.43) OPRM1CHRM3
SCHEMBL2265023 0.77 ADRA2A (0.46) CHRNB2CHRNA4ADRA2AHTR6PLK1
SCHEMBL12608623 0.76 OPRM1 (0.55) OPRM1CHRM3CHRNB4CHRNA3CHRNB2
SCHEMBL2267100 0.73 OPRM1 (0.55) OPRM1CHRM3CHRNB4CHRNA3CYP19A1
SCHEMBL12391645 0.73 DRD2 (0.41) CHRNB2CHRNA4ADRA2AHTR6PLK1

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
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
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 157/4885CHRM3 664/4885CHRNB4 374/4885

“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.