SCHEMBL2887201

SCHEMBL2887201

CC1CCC(C)N1CCCOc1ccc(-c2ccc3nncn3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.52
HRH2 P25021 3/20 0.52
HRH1 P35367 3/20 0.52
KCNH2 Q12809 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 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
SCHEMBL5789771 0.96 HRH3 (0.54) HRH3HRH2HRH1KCNH2KDM4E
SCHEMBL2885928 0.82 HRH3 (0.62) HRH3HRH2HRH1KCNH2KDM4E
SCHEMBL2879859 0.82 HRH3 (0.51) HRH3HRH2HRH1KDM4ESMN1; SMN2
SCHEMBL2882817 0.81 HRH3 (0.58) HRH3HRH1KCNH2HRH4
SCHEMBL2885165 0.80 HRH3 (0.47) HRH3HRH2HRH1KDM4ESMN1; SMN2
SCHEMBL2885159 0.80 HRH3 (0.60) HRH3HRH1KCNH2HRH4
SCHEMBL2885773 0.78 HRH3 (0.47) HRH3HRH2HRH1KCNH2KDM4E
SCHEMBL2887160 0.73 POLB (0.58) KDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL936663 0.69 TDP1 (0.50) KDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL26538921 0.69 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1MAPK1

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 4 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-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.