SCHEMBL2880476

SCHEMBL2880476

c1ccc(-c2nnc3c4ccccc4c(OCc4ccc(CCCN5CCCCC5)nc4)nn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.59
GABRG2 P18507 20/20 0.59
GABRB3 P28472 20/20 0.59
GABRA3 P34903 20/20 0.59
GABRA5 P31644 18/20 0.59
GABRA2 P47869 17/20 0.59

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
SCHEMBL2885796 0.88 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2883297 0.71 HRH3 (0.61)
SCHEMBL10666232 0.68 GABRG2 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2652789 0.68 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL22027531 0.67 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2886577 0.66 HRH3 (0.54)
SCHEMBL13262200 0.66 CYP1A2 (0.83)
SCHEMBL4760902 0.66 CACNA2D1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2879899 0.66 HRH3 (0.59)
SCHEMBL2646920 0.64 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5

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 3 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 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 GABRA1 517/4885GABRG2 1143/4885GABRB3 1172/4885

“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.