SCHEMBL4956033

SCHEMBL4956033

c1cc2nc3c(c(-c4ccc(OCCCN5CCCCC5)cc4)n2n1)CCC3

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.53
KCNH2 Q12809 5/20 0.53
TLR9 Q9NR96 3/20 0.49
TLR7 Q9NYK1 2/20 0.48
HRH1 P35367 1/20 0.48
ACHE P22303 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL4955847 0.99 HRH3 (0.51) HRH3KCNH2TLR9TLR7HRH1
SCHEMBL4955826 0.98 HRH3 (0.54) HRH3KCNH2TLR9TLR7HRH1
SCHEMBL4959237 0.98 HRH3 (0.54) HRH3KCNH2TLR9TLR7HRH1
SCHEMBL4956638 0.97 HRH3 (0.53) HRH3KCNH2TLR9TLR7HRH1
SCHEMBL4953082 0.92 HRH3 (0.47) HRH3KCNH2TLR9HRH1
SCHEMBL4954704 0.90 HRH3 (0.47) HRH3KCNH2TLR9HRH1
SCHEMBL4958683 0.86 HRH3 (0.48) HRH3TLR9ACHEHTR3A
SCHEMBL4959165 0.86 HRH3 (0.48) HRH3TLR9ACHEHTR3A
SCHEMBL4955726 0.86 HTR2C (0.37) HRH3KCNH2TLR9
SCHEMBL4956029 0.86 HRH3 (0.50) HRH3KCNH2TLR9TLR7HRH1

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 1/4885KCNH2 1542/4885TLR9 801/4885

“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.