SCHEMBL1122504

SCHEMBL1122504

CCSC(=N)Nc1ccc2ccn(CCN(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR1D P28221 9/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 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
SCHEMBL1122080 0.78 HTR2A (0.53) HTR6HTR2AHTR2CHTR1DNOS3
SCHEMBL1122358 0.76 NOS3 (0.60) HTR6HTR2AHTR2CHTR1DNOS3
SCHEMBL1122347 0.71 HTR2C (0.64) HTR6HTR2AHTR2CHTR1DNOS3
SCHEMBL12253663 0.70 NOS3 (0.62) HTR6HTR1DNOS3NOS1
SCHEMBL1122381 0.70 ALDH1A1 (0.53) HTR6HTR2AHTR2CHTR1D
SCHEMBL1122382 0.70 HTR6 (0.51) HTR6HTR2AHTR2CHTR1DMAOA
SCHEMBL1122396 0.70 NOS3 (0.62) HTR6HTR1DNOS3NOS1
Hydrochloric Acid SCHEMBL1122252 0.70 NOS3 (0.62) HTR6NOS3NOS1
SCHEMBL8589275 0.69 MEN1 (0.52) HTR6HTR2AHTR2CHTR1D
SCHEMBL12857088 0.69 NOS1 (0.49) HTR6MAOAMAOBNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101247853-B Substituted indole compounds having NOS inhibitory activity NEURAXON INC 2014-11-12 CN claimed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US claimed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US claimed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
CN-101910157-A Indole compounds and methods of treating visceral pain NEURAXON INC 2010-12-08 CN claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US claimed
CN-101247853-A Substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2008-08-20 CN claimed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
CN-101910157-B Indole compounds and methods of treating visceral pain NEURAXON INC 2014-05-07 CN disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
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-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
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 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 (4 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-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR6 274/4885HTR2A 156/4885HTR2C 434/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 HTR6 274/4885HTR2A 156/4885HTR2C 434/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR6 274/4885HTR2A 156/4885HTR2C 434/4885
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN TPH1, NOS1, IDO1 HTR6 43/4885HTR2A 27/4885HTR2C 30/4885

“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.