SCHEMBL2880329

SCHEMBL2880329

C[C@H]1CCCN(CCCOc2ccc(-c3nn4cnnc4c4cnccc34)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.52
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
MAOB P27338 2/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2888159 0.89 HRH3 (0.51) HRH3HRH1
SCHEMBL2885674 0.88 HRH3 (0.52) HRH3HRH1
SCHEMBL2880547 0.86 HRH3 (0.56) HRH3
SCHEMBL2880005 0.85 HRH3 (0.52) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL12061358 0.77 HRH3 (0.78) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4096055 0.77 HRH3 (0.78) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4098927 0.77 HRH3 (0.78) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL2880586 0.76 HRH3 (0.63) HRH3HRH1ALDH1A1
Water SCHEMBL25381550 0.76 HRH3 (0.76) HRH3HRH2HRH1MAOBKDM4E
Water SCHEMBL25381549 0.76 HRH3 (0.76) HRH3HRH2HRH1MAOBKDM4E

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 1/4885HRH2 2/4885HRH1 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.