SCHEMBL2265038

SCHEMBL2265038

CC(C)NC1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.56
HTR1D P28221 10/20 0.41
CLK1 P49759 2/20 0.41
HTR1E P28566 2/20 0.39
HTR1A P08908 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL2264661 0.89 SLC6A4 (0.59) SLC6A4HTR1DCLK1HTR1EHTR1A
SCHEMBL12367636 0.89 SLC6A4 (0.59) SLC6A4HTR1DCLK1HTR1EHTR1A
SCHEMBL12367646 0.86 SLC6A4 (0.56) SLC6A4HTR1DCLK1HTR1EHTR1A
SCHEMBL2265411 0.84 SLC6A4 (0.54) SLC6A4HTR1DCLK1HTR1EHTR1A
SCHEMBL12253721 0.80 SLC6A4 (0.70) SLC6A4HTR1DHTR1EHTR1A
SCHEMBL1122116 0.80 SLC6A4 (0.70) SLC6A4HTR1DHTR1EHTR1A
SCHEMBL2265381 0.78 SLC6A4 (0.61) SLC6A4CLK1CDK5CDK5R1
SCHEMBL2265387 0.78 SLC6A4 (0.61) SLC6A4CLK1CDK5CDK5R1
SCHEMBL1122301 0.78 SLC6A4 (0.67) SLC6A4HTR1DHTR1EHTR1A
SCHEMBL12253747 0.78 SLC6A4 (0.67) SLC6A4HTR1DHTR1EHTR1A

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 8 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
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

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 336/4885HTR1D 136/4885CLK1 2766/4885

“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.