SCHEMBL2886027

SCHEMBL2886027

Cc1nnc2c3cnccc3c(-c3ccc(OCCCN4CCC[C@H]4C)cc3)nn12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.56
HTR3A P46098 3/20 0.49
KCNH2 Q12809 2/20 0.49
ADRA2C P18825 2/20 0.47
SLC6A3 Q01959 2/20 0.47

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
SCHEMBL2880005 0.86 HRH3 (0.52) HRH3KCNH2
SCHEMBL2887374 0.86 HRH3 (0.52) HRH3HTR3AKCNH2
SCHEMBL2880453 0.85 HRH3 (0.53) HRH3HTR3AKCNH2
SCHEMBL2880547 0.84 HRH3 (0.56) HRH3HTR3AKCNH2
SCHEMBL2887921 0.75 HRH3 (0.62) HRH3HTR3AKCNH2
SCHEMBL2880580 0.73 HRH3 (0.52) HRH3KCNH2
SCHEMBL2882728 0.73 HRH3 (0.65) HRH3KCNH2
SCHEMBL4596999 0.73 HRH3 (0.72) HRH3HTR3AKCNH2SLC6A3
SCHEMBL1375436 0.72 HRH3 (1.00) HRH3HTR3AKCNH2
SCHEMBL1375438 0.72 HRH3 (1.00) HRH3HTR3AKCNH2

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 1/4885HTR3A 125/4885KCNH2 454/4885

“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.