SCHEMBL1122347

SCHEMBL1122347

CN(C)CCn1ccc2ccc(N)cc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.64
HTR2A P28223 3/20 0.64
HTR1D P28221 9/20 0.61
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
NOS2 P35228 1/20 0.49
HTR6 P50406 4/20 0.48

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
SCHEMBL1121913 0.89 NOS3 (0.53) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL216229 0.87 HTR2C (0.61) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL30411128 0.87 HTR2C (0.61) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL8648989 0.81 EGFR (0.48) HTR2CHTR2AHTR1DHTR6
SCHEMBL27400363 0.81 HTR2C (0.61) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL23956080 0.81 HTR2C (0.69) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL7252922 0.81 HTR2A (0.64) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL31258100 0.81 HTR2A (0.64) HTR2CHTR2AHTR1DNOS3NOS1
SCHEMBL29780573 0.80 KMO (0.44) HTR2CHTR2AHTR1DHTR6
SCHEMBL23413236 0.80 KMO (0.44) HTR2CHTR2AHTR1DHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456602-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2017-02-22 CN 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-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
EP-0760665-B1 COMPOSITIONS CONTAINING 5HTIA AND 5HTID ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-12-12 EP disclosed
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed
US-5756496-A Amide derivatives having 5HT1D-antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 1998-05-26 US disclosed
EP-0763034-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP disclosed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO disclosed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 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 (3 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 HTR2C 434/4885HTR2A 156/4885HTR1D 511/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR2C 23/4885HTR2A 18/4885HTR1D 50/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR2C 434/4885HTR2A 156/4885HTR1D 511/4885

“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.