SCHEMBL2882817

SCHEMBL2882817

c1cc(-c2ccc3nncn3n2)ccc1OCCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.58
KCNH2 Q12809 2/20 0.54
HRH1 P35367 1/20 0.54
ATP4A P20648 4/20 0.51
ATP4B P51164 4/20 0.51
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL2885159 0.99 HRH3 (0.60) HRH3KCNH2HRH1ATP4AATP4B
SCHEMBL2879859 0.89 HRH3 (0.51) HRH3HRH1
SCHEMBL2885773 0.87 HRH3 (0.47) HRH3KCNH2HRH1
SCHEMBL2885928 0.87 HRH3 (0.62) HRH3KCNH2HRH1
SCHEMBL2885165 0.85 HRH3 (0.47) HRH3HRH1
SCHEMBL5789771 0.81 HRH3 (0.54) HRH3KCNH2HRH1
SCHEMBL2887201 0.81 HRH3 (0.52) HRH3KCNH2HRH1HRH4
SCHEMBL2880203 0.79 HRH3 (0.53) HRH3KCNH2HRH1HRH4
SCHEMBL2885424 0.79 HTR3A (0.64) HRH3KCNH2HRH1HRH4
SCHEMBL2886351 0.77 HRH3 (0.62) HRH3KCNH2HRH1HRH4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US claimed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US claimed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP claimed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 454/4885HRH1 4/4885

“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.