SCHEMBL6822136

SCHEMBL6822136

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OCCN4CCCC4)cc23)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.46
ADORA2A P29274 6/20 0.46
MCHR1 Q99705 3/20 0.43
LTA4H P09960 2/20 0.42
HRH3 Q9Y5N1 6/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA2B P29275 4/20 0.42
BACE1 P56817 1/20 0.41
KCNH2 Q12809 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6824695 0.99 ADORA2A (0.47) ADORA1ADORA2AMCHR1LTA4HHRH3
SCHEMBL6821914 0.97 ADORA1 (0.41) ADORA1ADORA2AMCHR1LTA4HHRH3
SCHEMBL6822144 0.93 ADORA2A (0.47) ADORA1ADORA2AMCHR1ADORA3ADORA2B
SCHEMBL6818497 0.89 POLB (0.42) ADORA1ADORA2AHRH3
SCHEMBL6821894 0.88 KDM4E (0.40) ADORA1ADORA2AHRH3KCNH2
SCHEMBL6822546 0.88 ADORA1 (0.41) ADORA1HRH3
SCHEMBL6824716 0.87 ADORA1 (0.40) ADORA1ADORA2AHRH3ADORA3
SCHEMBL6818520 0.87 ADORA1 (0.40) ADORA1ADORA2AHRH3
SCHEMBL6822544 0.86 L3MBTL1 (0.43) ADORA1HRH3
SCHEMBL6822100 0.86 ADORA1 (0.40) ADORA1MCHR1HRH3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US 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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 ADORA1 22/4885ADORA2A 34/4885MCHR1 3420/4885

“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.