SCHEMBL5152183

SCHEMBL5152183

COc1ccc(-n2nc(OC3CCCC3)cc2-c2ccc(O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 15/20 0.42
CACNA1A O00555 15/20 0.42
CACNA1G O43497 15/20 0.42
CACNG3 O60359 15/20 0.42
CACNA1F O60840 15/20 0.42
CACNA1H O95180 15/20 0.42
CACNB3 P54284 15/20 0.42
CACNA2D1 P54289 15/20 0.42
CACNG7 P62955 15/20 0.42
CACNA1B Q00975 15/20 0.42
CACNA1D Q01668 15/20 0.42
CACNB1 Q02641 15/20 0.42
CACNG1 Q06432 15/20 0.42
CACNB2 Q08289 15/20 0.42
CACNA1S Q13698 15/20 0.42
CACNA1C Q13936 15/20 0.42
CACNA1E Q15878 15/20 0.42
CACNA2D4 Q7Z3S7 15/20 0.42
CACNA2D3 Q8IZS8 15/20 0.42
CACNG8 Q8WXS5 15/20 0.42

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
SCHEMBL5148949 0.86 FYN (0.48) FYNMGLL
SCHEMBL5148867 0.85 MDM2 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
Hydrochloric Acid SCHEMBL5150749 0.83 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5147758 0.81 FYN (0.45) CACNA1BFYNMGLL
SCHEMBL5149184 0.81 FYN (0.44) CACNA1BFYNMGLL
SCHEMBL5152228 0.81 PDE4A (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5147718 0.80 FYN (0.43) FYNMGLL
SCHEMBL6687338 0.80 PTGS1 (0.42) FYNPDE4DPDE4APDE4BPDE4C
SCHEMBL5147735 0.79 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5148802 0.78 FYN (0.46) FYNMGLL

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
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 CACNB4 1907/4885CACNA1A 231/4885CACNA1G 1371/4885

“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.