SCHEMBL12367635

SCHEMBL12367635

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.61
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 3/20 0.40
CLK1 P49759 2/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 1/20 0.36
PTPRA P18433 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12253720 0.93 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL2946165 0.93 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12367644 0.89 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CLK1PTPRA
SCHEMBL12367661 0.89 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CLK1NOS3
SCHEMBL12367654 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3CLK1PTPRA
SCHEMBL2264717 0.87 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CLK1NOS3
SCHEMBL2264721 0.87 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CLK1NOS3
SCHEMBL2944241 0.82 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12253741 0.82 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12253734 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3NOS3NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 336/4885SLC6A2 1484/4885SLC6A3 1748/4885

“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.