SCHEMBL4956587

SCHEMBL4956587

ClCCCOc1ccc(-c2c3c(nc4ccnn24)CCCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 4/20 0.38
HRH3 Q9Y5N1 7/20 0.38
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.36
HTR3A P46098 1/20 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
SCHEMBL4955647 0.99 HTR2C (0.37) HTR2CHTR2AHTR2BHRH3KCNH2
SCHEMBL4955726 0.97 HTR2C (0.37) HTR2CHTR2AHTR2BHRH3KCNH2
SCHEMBL4959237 0.87 HRH3 (0.54) HRH3KCNH2ACHEHTR3A
SCHEMBL4955826 0.87 HRH3 (0.54) HRH3KCNH2ACHEHTR3A
SCHEMBL4953073 0.86 LSS (0.41) HTR2CHTR2BHRH3
SCHEMBL4956638 0.86 HRH3 (0.53) HRH3KCNH2ACHEHTR3A
SCHEMBL4956033 0.85 HRH3 (0.53) HRH3KCNH2ACHEHTR3A
SCHEMBL4955100 0.85 HRH3 (0.47) HRH3KCNH2
SCHEMBL4956488 0.85 HRH3 (0.47) HRH3KCNH2
SCHEMBL4955991 0.84 HRH3 (0.35) HTR2CHRH3ACHEHTR3A

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
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 HTR2C 29/4885HTR2A 44/4885HTR2B 20/4885

“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.