SCHEMBL6497694

SCHEMBL6497694

COc1ccc(C#CCN2CCc3ncn(Cc4ccc(-c5cccs5)cc4)c(=O)c3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.46
MMP13 P45452 4/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
CYP11B2 P19099 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALK Q9UM73 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL6487341 0.90 CLPP (0.51) CLPPMMP13GABRA1GABRA2
SCHEMBL6493997 0.89 CLPP (0.50) CLPPMMP13CYP11B2ROCK2ROCK1
SCHEMBL6484792 0.89 CLPP (0.47) CLPPMMP13CYP11B2PRMT5WDR77
SCHEMBL6487777 0.87 CLPP (0.50) CLPPMMP13CYP11B2GABRA1GABRA2
SCHEMBL6497781 0.87 CLPP (0.52) CLPPMMP13CYP11B2GABRA1GABRA2
SCHEMBL6486392 0.87 CLPP (0.43) CLPPMMP13CYP11B2ROCK2ROCK1
SCHEMBL6490318 0.86 CLPP (0.47) CLPPMMP13CYP11B2GRIN1
SCHEMBL6497860 0.86 CLPP (0.45) CLPPMMP13CYP11B2ROCK2ROCK1
SCHEMBL6487309 0.85 CLPP (0.55) CLPPMMP13CYP11B2PRMT5WDR77
SCHEMBL6490608 0.85 CLPP (0.47) CLPPMMP13CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 CLPP 3602/4885MMP13 3/4885MMP1 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.