SCHEMBL4953771

SCHEMBL4953771

CC1CCCN1CCCOc1ccc(-c2c3c(nc4ccnn24)CCCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.54
HTR3A P46098 3/20 0.50
KCNH2 Q12809 2/20 0.48
CHRM2 P08172 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 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
SCHEMBL4953780 1.00 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL4957830 0.99 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL4955459 0.99 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL4956767 0.98 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL4955257 0.98 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL4955710 0.89 HRH3 (0.51) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL4955957 0.89 HRH3 (0.50) HRH3HTR3AKCNH2
SCHEMBL4955100 0.88 HRH3 (0.47) HRH3KCNH2CHRM2SLC6A2SLC6A3
SCHEMBL4956488 0.88 HRH3 (0.47) HRH3KCNH2CHRM2SLC6A2SLC6A3
SCHEMBL4953791 0.85 HRH3 (0.53) HRH3HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773345-B1 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2013-12-11 EP claimed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US claimed
EP-1773345-A2 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS Athersys, Inc. (US) 2007-04-18 EP claimed
WO-2006004937-A2 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS, INC. (US) 2006-01-12 WO claimed
US-20060009451-A1 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. 2006-01-12 US claimed
EP-1773345-B1 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2013-12-11 EP disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
EP-1773345-A2 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS Athersys, Inc. (US) 2007-04-18 EP disclosed
WO-2006004937-A2 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS, INC. (US) 2006-01-12 WO disclosed
US-20060009451-A1 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. 2006-01-12 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 (1 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-20060009451-A1 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HRH4, HRH1 HRH3 1/4885HTR3A 15/4885KCNH2 1542/4885

“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.