SCHEMBL2264780

SCHEMBL2264780

Cc1cc2cc([N+](=O)[O-])ccc2n1CCC1CCCN1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
CHRNB4 P30926 9/20 0.49
CHRNA3 P32297 9/20 0.49
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 1/20 0.45
CHRM3 P20309 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRNB1 P11230 1/20 0.41
CHRNB3 Q05901 1/20 0.41
HIF1A Q16665 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
CYP19A1 P11511 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
SCHEMBL12608623 0.84 OPRM1 (0.55) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2266718 0.83 CHRNB4 (0.50) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2267100 0.83 OPRM1 (0.55) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12608698 0.81 OPRM1 (0.51) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2265023 0.80 ADRA2A (0.46) CHRNB2CHRNA4ADRA2A
SCHEMBL2265423 0.80 NOS3 (0.50) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2073705 0.79 MEN1 (0.53) CNR1CNR2ALDH1A1PKMCYP19A1
SCHEMBL1122379 0.79 HTR7 (0.58) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2267374 0.79 OPRM1 (0.47) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2267791 0.79 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 6 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
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 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
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US 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 157/4885CHRNB4 374/4885CHRNA3 161/4885

“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.