SCHEMBL4955647

SCHEMBL4955647

ClCCCOc1ccc(-c2c3c(nc4ccnn24)CCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
HTR2A P28223 5/20 0.37
HTR2B P41595 5/20 0.37
HRH3 Q9Y5N1 3/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.34
TLR9 Q9NR96 1/20 0.34
ACHE P22303 1/20 0.34
HTR3A P46098 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4956587 0.99 HTR2C (0.38) HTR2CHTR2AHTR2BHRH3KCNH2
SCHEMBL4955726 0.98 HTR2C (0.37) HTR2CHTR2AHTR2BHRH3HSD17B10
SCHEMBL4956638 0.87 HRH3 (0.53) HRH3KCNH2TLR9ACHEHTR3A
SCHEMBL4953073 0.87 LSS (0.41) HTR2CHTR2BHRH3CYP1A2CYP3A4
SCHEMBL4955826 0.86 HRH3 (0.54) HRH3KCNH2TLR9ACHEHTR3A
SCHEMBL4959237 0.86 HRH3 (0.54) HRH3KCNH2TLR9ACHEHTR3A
SCHEMBL4955944 0.85 LSS (0.41) HTR2CHTR2BHRH3CYP1A2CYP3A4
SCHEMBL4955847 0.85 HRH3 (0.51) HRH3KCNH2TLR9ACHEHTR3A
SCHEMBL4954704 0.84 HRH3 (0.47) HTR2AHTR2BHRH3KCNH2TLR9
SCHEMBL4958235 0.84 CYP1A2 (0.39) HTR2CHTR2AHTR2BHRH3TSHR

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 5 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
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.