SCHEMBL75198

SCHEMBL75198

O=C(NC1CCC1)c1cc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.65
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
SCN4A P35499 1/20 0.57
SCN9A Q15858 1/20 0.57
FAAH O00519 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNA7 P36544 1/20 0.56
HTR3A P46098 1/20 0.56
HSD17B10 Q99714 3/20 0.55
HPGD P15428 1/20 0.55
PYGL P06737 1/20 0.55
PYGM P11217 1/20 0.55
SLC2A1 P11166 1/20 0.54
CNR2 P34972 1/20 0.54

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
SCHEMBL76132 0.97 MLLT1 (0.69) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL74244 0.96 MLLT1 (0.67) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19837645 0.96 MLLT1 (0.67) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL74832 0.96 MLLT1 (0.67) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL4018254 0.94 KDM4E (0.62) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL30102648 0.89 MAOB (0.60) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19850663 0.87 NPC1 (0.56) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19837662 0.87 NPC1 (0.56) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL21490113 0.87 SMYD3 (0.71) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19710676 0.87 SMYD3 (0.71) MLLT1KDM4EALDH1A1GAAMAPK1

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MLLT1 341/4885KDM4E 447/4885ALDH1A1 3232/4885
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 MLLT1 341/4885KDM4E 447/4885ALDH1A1 3232/4885

“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.