SCHEMBL6822339

SCHEMBL6822339

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OC4CCN(C(=O)N(C)C)CC4)cc23)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
CACNA1E Q15878 1/20 0.38
CACNA2D4 Q7Z3S7 1/20 0.38
CACNA2D3 Q8IZS8 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38

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
SCHEMBL6824743 0.93 HRH3 (0.39) HRH3ADORA1GPR119KCNH2SLC16A3
SCHEMBL6921388 0.92 IKBKB (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
Hydrochloric Acid SCHEMBL6822212 0.88 HRH3 (0.40) HRH3ADORA1
SCHEMBL6822059 0.85 HRH3 (0.37) HRH3ADORA1SLC16A3SLC16A1
SCHEMBL6824899 0.85 ADORA1 (0.38) ADORA1
Hydrochloric Acid SCHEMBL6821473 0.85 HRH3 (0.42) HRH3ADORA1
SCHEMBL6822350 0.83 ADORA1 (0.40) ADORA1ACACBACACA
SCHEMBL6821916 0.80 ADORA1 (0.42) ADORA1
SCHEMBL6822257 0.80 ADORA1 (0.43) ADORA1
SCHEMBL6821959 0.79 ADORA1 (0.42) ADORA1

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 CACNB4 601/4885CACNA1A 196/4885CACNA1G 324/4885

“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.