SCHEMBL2265809

SCHEMBL2265809

CCCN(C(=O)O)C1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.59
PTPRA P18433 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2C19 P33261 1/20 0.38
HTR1D P28221 2/20 0.37
CLK1 P49759 2/20 0.37
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL2265802 1.00 SLC6A4 (0.59) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL12367654 0.88 SLC6A4 (0.54) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL2264721 0.86 SLC6A4 (0.67) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL2264717 0.86 SLC6A4 (0.67) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL1122249 0.85 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL1122248 0.85 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL2265381 0.84 SLC6A4 (0.61) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL2265387 0.84 SLC6A4 (0.61) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL12367644 0.83 SLC6A4 (0.56) SLC6A4PTPRASLC6A2SLC6A3CYP2C19
SCHEMBL1121788 0.79 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3

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 SLC6A4 336/4885PTPRA 2508/4885SLC6A2 1484/4885

“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.