SCHEMBL2264538

SCHEMBL2264538

CN1CCC(c2c[nH]c3cc(NCc4ccccc4)ccc23)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.60
APP P05067 3/20 0.55
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 1/20 0.46
HTR1D P28221 3/20 0.45
HTR1B P28222 3/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTR6 P50406 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1F P30939 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL2934570 0.92 KDM4E (0.60) KDM4EATMAPPNOS3NOS1
SCHEMBL6529902 0.76 KDM4E (1.00) KDM4EATMCYP2D6
SCHEMBL6528941 0.76 KDM4E (1.00) KDM4EATMCYP2D6
SCHEMBL5253835 0.76 KDM4E (1.00) KDM4EATMCYP2D6
SCHEMBL12128938 0.75 APP (0.90) KDM4EATMAPPHTR1DHTR1B
SCHEMBL30877204 0.74 DRD2 (0.67) KDM4EATMAPPNOS3NOS1
SCHEMBL21671923 0.74 APP (0.75) KDM4EATMAPPHTR1DHTR1B
SCHEMBL2264715 0.73 NOS3 (0.63) KDM4EATMAPPNOS3NOS1
SCHEMBL2932440 0.73 KDM4E (0.54) KDM4EATMNOS3NOS1HTR1D
SCHEMBL2935082 0.73 HTR1D (0.61) KDM4EATMAPPNOS3NOS1

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 11 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
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
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

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 KDM4E 2482/4885ATM 387/4885APP 1330/4885

“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.