SCHEMBL4953777

SCHEMBL4953777

CCN(CC)CCCOc1ccc(-c2c3c(nc4ccnn24)CCCCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.45
DRD3 P35462 8/20 0.43
DRD2 P14416 7/20 0.43
PTPN1 P18031 1/20 0.41
ACHE P22303 2/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39

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
SCHEMBL4953073 0.89 LSS (0.41) HRH3DRD3DRD2PTPN1
SCHEMBL4956598 0.89 ACHE (0.40) HRH3DRD3DRD2ACHE
SCHEMBL4955944 0.87 LSS (0.41) HRH3DRD3DRD2PTPN1
SCHEMBL4956587 0.86 HTR2C (0.38) HRH3ACHE
SCHEMBL4955647 0.84 HTR2C (0.37) HRH3ACHE
SCHEMBL4955726 0.82 HTR2C (0.37) HRH3
SCHEMBL4955826 0.82 HRH3 (0.54) HRH3ACHE
SCHEMBL4956488 0.82 HRH3 (0.47) HRH3
SCHEMBL4955100 0.82 HRH3 (0.47) HRH3
SCHEMBL4956638 0.81 HRH3 (0.53) HRH3ACHE

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 8 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
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
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 1/4885DRD3 102/4885DRD2 200/4885

“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.