SCHEMBL12367644

SCHEMBL12367644

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.56
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
PTPRA P18433 1/20 0.35
CLK1 P49759 1/20 0.35
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR1D P28221 2/20 0.34
PKM P14618 1/20 0.34
PKLR P30613 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
SCHEMBL12367654 0.94 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3PTPRACLK1
SCHEMBL2944241 0.93 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL12253741 0.93 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL12367635 0.89 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3PTPRACLK1
SCHEMBL12367661 0.87 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3PTPRACLK1
SCHEMBL12367650 0.86 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL2265802 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3PTPRACLK1
SCHEMBL2265809 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3PTPRACLK1
SCHEMBL2946165 0.82 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL12253720 0.82 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1D

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.