SCHEMBL92663

SCHEMBL92663

CCCCOc1ccc(-n2c(COC)cc3cc(OC)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
CYP19A1 P11511 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL92661 0.88 AHR (0.43) AHRCYP19A1MEN1KMT2AMETAP2
SCHEMBL73863 0.85 HRH3 (0.54) KMT2AALDH1A1MAOAMAOB
SCHEMBL75757 0.84 CYP19A1 (0.42) CYP19A1ALDH1A1L3MBTL1MAOAMAOB
SCHEMBL75868 0.83 NPC1 (0.49) CYP19A1MEN1KMT2AL3MBTL1MAOA
SCHEMBL92665 0.75 KMT2A (0.47) MEN1KMT2AALDH1A1L3MBTL1MAOA
SCHEMBL73067 0.74 HRH3 (0.56) MEN1KMT2A
SCHEMBL73535 0.74 HRH3 (0.54) KMT2AALDH1A1MAOAMAOB
SCHEMBL73957 0.72 NPC1 (0.48) MEN1KMT2AL3MBTL1MAOAMAOB
SCHEMBL85712 0.72 NPC1 (0.48) MEN1KMT2AL3MBTL1MAOBCYP1A2
SCHEMBL74060 0.72 HRH3 (0.52)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 US disclosed
US-7855224-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2010-12-21 US disclosed
US-7528262-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2009-05-05 US disclosed
US-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders BENNANI YOUSSEF L 2009-02-05 US disclosed
US-20070161676-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. 2007-07-12 US disclosed
WO-2007047775-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS, INC. (US) 2007-04-26 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-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HCRTR1, HCRTR2 AHR 45/4885CYP19A1 1529/4885MEN1 1562/4885
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS HRH3, HCRTR1, HCRTR2 AHR 45/4885CYP19A1 1529/4885MEN1 1562/4885
US-20070161676-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HCRTR1, HCRTR2 AHR 45/4885CYP19A1 1529/4885MEN1 1562/4885

“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.