SCHEMBL2879800

SCHEMBL2879800

c1ccc2c(c1)c(-c1ccc(OCCCN3CCCCC3)nc1)nn1cnnc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 2/20 0.44
KDR P35968 1/20 0.43
ACVR1 Q04771 2/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACP1 P24666 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL2880586 0.87 HRH3 (0.63) HRH3ALDH1A1HRH1KCNH2
SCHEMBL2885674 0.78 HRH3 (0.52) HRH3HRH1KCNH2
SCHEMBL2886259 0.78 ALDH1A1 (0.62) ALDH1A1MEN1HTTKMT2AATM
SCHEMBL2888159 0.77 HRH3 (0.51) HRH3HRH1KCNH2
SCHEMBL2883504 0.76 HRH3 (0.52) HRH3HRH1KCNH2
SCHEMBL2885849 0.76 HRH3 (0.54) HRH3HRH1KCNH2
SCHEMBL2882728 0.68 HRH3 (0.65) HRH3HRH1KCNH2
SCHEMBL2883297 0.67 HRH3 (0.61) HRH3HRH1KCNH2
SCHEMBL2880329 0.67 HRH3 (0.52) HRH3ALDH1A1HRH1
SCHEMBL2885796 0.67 GABRG2 (0.59)

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 1/4885ALDH1A1 1934/4885MEN1 1259/4885

“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.