SCHEMBL1121941

SCHEMBL1121941

CN(C)CCc1c[nH]c2ccc(CN)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.76
HTR1D P28221 8/20 0.76
HTR1B P28222 7/20 0.76
HTR2C P28335 12/20 0.65
HTR2A P28223 5/20 0.65
MPO P05164 1/20 0.65
SLC6A4 P31645 1/20 0.65
HTR2B P41595 4/20 0.63
HTR1E P28566 3/20 0.63
HTR1F P30939 3/20 0.63
HTR7 P34969 3/20 0.63
HTR3A P46098 3/20 0.63
HTR5A P47898 3/20 0.63
SLC47A1 Q96FL8 1/20 0.63
HTR3E A5X5Y0 2/20 0.62
HTR3B O95264 2/20 0.62
HTR6 P50406 2/20 0.62
HTR4 Q13639 2/20 0.62
HTR3D Q70Z44 2/20 0.62
HTR3C Q8WXA8 2/20 0.62

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
SCHEMBL22612481 0.87 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL31574201 0.87 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL13653014 0.85 HTR1A (0.81) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL1750326 0.85 HTR1A (0.76) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL15701887 0.85 HTR1A (0.76) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL5320736 0.85 KDM4E (0.57) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL2998441 0.85 HTR1A (0.71) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL10745433 0.83 HTR6 (0.69) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL13647702 0.83 HTR1A (0.72) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL10717762 0.82 HTR1D (0.67) HTR1AHTR1DHTR1BHTR2CHTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-7951940-B2 neuronal nitric oxide synthase (nNOS) isoform inhibitors; 2-ethyl-1-(1H-indol-5-yl)-isothiourea; neurogenerative disorders, stroke, reperfusion injury, head trauma, migraine headache, neuropathic pain, drug abuse, hyperalgesia NEURAXON, INC. (CA) 2011-05-31 US disclosed
US-7951940-B2 neuronal nitric oxide synthase (nNOS) isoform inhibitors; 2-ethyl-1-(1H-indol-5-yl)-isothiourea; neurogenerative disorders, stroke, reperfusion injury, head trauma, migraine headache, neuropathic pain, drug abuse, hyperalgesia NEURAXON, INC. (CA) 2011-05-31 US disclosed
US-7951940-B2 neuronal nitric oxide synthase (nNOS) isoform inhibitors; 2-ethyl-1-(1H-indol-5-yl)-isothiourea; neurogenerative disorders, stroke, reperfusion injury, head trauma, migraine headache, neuropathic pain, drug abuse, hyperalgesia NEURAXON, INC. (CA) 2011-05-31 US disclosed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 US disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 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 (5 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR1A 91/4885HTR1D 511/4885HTR1B 221/4885
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR1A 91/4885HTR1D 511/4885HTR1B 221/4885
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan HTR7, HRH4, CA7 HTR1A 31/4885HTR1D 48/4885HTR1B 147/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 HTR1A 91/4885HTR1D 511/4885HTR1B 221/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR1A 91/4885HTR1D 511/4885HTR1B 221/4885

“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.