SCHEMBL4954468

SCHEMBL4954468

CN(CCCOc1ccc(-c2c3c(nc4ccnn24)CCCCC3)cc1)Cc1ccco1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
LTA4H P09960 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 3/20 0.34
BCHE P06276 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.33

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 0.84 LSS (0.41) KDM4EALDH1A1SMN1; SMN2HRH3HTR2C
SCHEMBL4955944 0.82 LSS (0.41) KDM4EALDH1A1SMN1; SMN2HRH3HTR2C
SCHEMBL4953777 0.81 HRH3 (0.45) ACHEHRH3
SCHEMBL4956587 0.79 HTR2C (0.38) ACHEKCNH2HRH3HTR2C
SCHEMBL4955647 0.78 HTR2C (0.37) TSHRACHEKCNH2HRH3HTR2C
SCHEMBL4955726 0.76 HTR2C (0.37) HPGDMAPTKDM4ENPC1RAB9A
SCHEMBL4955826 0.76 HRH3 (0.54) ACHEKCNH2HRH3
SCHEMBL4959237 0.76 HRH3 (0.54) ACHEKCNH2HRH3
SCHEMBL4955100 0.75 HRH3 (0.47) LTA4HKCNH2HRH3
SCHEMBL4956488 0.75 HRH3 (0.47) LTA4HKCNH2HRH3

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
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 HPGD 1982/4885MAPT 296/4885KDM4E 320/4885

“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.