SCHEMBL2267227

SCHEMBL2267227

CN1CCC[C@H]1Cn1ccc2cc(Br)ccc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.67
HTR7 P34969 7/20 0.52
HTR2A P28223 3/20 0.47
HTR2C P28335 1/20 0.47
DRD2 P14416 2/20 0.44
NOS3 P29474 5/20 0.42
NOS1 P29475 5/20 0.42
NOS2 P35228 5/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL2267232 1.00 HTR6 (0.67) HTR6HTR7HTR2AHTR2CDRD2
SCHEMBL7253410 0.90 HTR6 (0.67) HTR6HTR7HTR2ADRD2NOS3
SCHEMBL7256599 0.90 HTR6 (0.67) HTR6HTR7HTR2ADRD2NOS3
SCHEMBL7253405 0.90 HTR6 (0.67) HTR6HTR7HTR2ADRD2NOS3
SCHEMBL2261758 0.84 HTR6 (0.67) HTR6NOS3NOS1NOS2CHRNB2
SCHEMBL2261753 0.84 HTR6 (0.67) HTR6NOS3NOS1NOS2CHRNB2
SCHEMBL23927926 0.83 HTR6 (0.66) HTR6HTR7HTR2CCHRNB2
SCHEMBL23927924 0.83 HTR6 (0.66) HTR6HTR7HTR2CCHRNB2
SCHEMBL23956114 0.83 HTR6 (0.66) HTR6HTR7HTR2CCHRNB2
SCHEMBL7199489 0.81 HTR6 (1.00) HTR6

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 12 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
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
CN-101466709-B 1,5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC 2013-03-20 CN 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
CN-101466709-A 1, 5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2009-06-24 CN 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
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 HTR6 31/4885HTR7 219/4885HTR2A 101/4885

“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.