SCHEMBL1122373

SCHEMBL1122373

Nc1ccc2ccn(CCN3CCCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 18/20 0.57
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 1/20 0.49

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
SCHEMBL12253689 0.98 HTR7 (0.56) HTR7NOS3NOS1NOS2
SCHEMBL429679 0.88 NOS3 (0.48) HTR7NOS3NOS1NOS2
SCHEMBL215782 0.88 HTR7 (0.56) HTR7NOS3NOS1NOS2
SCHEMBL4263907 0.86 HTR7 (0.54) HTR7NOS3NOS1NOS2
SCHEMBL2262498 0.86 HTR7 (0.54) HTR7NOS3NOS1NOS2
SCHEMBL20784089 0.84 HTR7 (0.59) HTR7NOS3NOS1NOS2
SCHEMBL11914460 0.82 HTR7 (0.43) HTR7NOS3NOS1NOS2
SCHEMBL3351880 0.80 HTR7 (0.55) HTR7NOS3NOS1
SCHEMBL19700705 0.80 HTR6 (0.42) HTR7
SCHEMBL23413236 0.78 KMO (0.44) HTR7

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 41 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-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-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070043041-A1 Indol-6 sulfonamide derivative, their preparation and their use 5-ht-6 as modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-22 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US disclosed
CN-1832738-A Indol-6 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators ESTEVE LABOR DR (ES) 2006-09-13 CN disclosed
EP-1660077-A1 INDOL-6 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-31 EP disclosed
EP-1660131-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-31 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2005013976-A1 INDOL-6 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 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 (7 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR7 17/4885NOS3 1343/4885NOS1 1630/4885
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR7 455/4885NOS3 3/4885NOS1 2/4885
US-20070043041-A1 Indol-6 sulfonamide derivative, their preparation and their use 5-ht-6 as modulators HTR6, TPH1, TPH2 HTR7 14/4885NOS3 1108/4885NOS1 1641/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 HTR7 455/4885NOS3 3/4885NOS1 2/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR7 17/4885NOS3 1343/4885NOS1 1630/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR7 17/4885NOS3 1275/4885NOS1 1733/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR7 455/4885NOS3 3/4885NOS1 2/4885

“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.