SCHEMBL6484792

SCHEMBL6484792

COc1ccc(C#CCN2CCc3ncn(Cc4ccc(-c5ccccc5)cc4)c(=O)c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.47
MMP13 P45452 5/20 0.43
GABRA1 P14867 1/20 0.39
GABRA2 P47869 1/20 0.39
CYP11B2 P19099 2/20 0.39
NPBWR1 P48145 1/20 0.38
CYP11B1 P15538 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL6487777 0.95 CLPP (0.50) CLPPMMP13GABRA1GABRA2CYP11B2
SCHEMBL6497781 0.95 CLPP (0.52) CLPPMMP13GABRA1GABRA2CYP11B2
SCHEMBL6493997 0.94 CLPP (0.50) CLPPMMP13CYP11B2
SCHEMBL6497871 0.91 CLPP (0.55) CLPPMMP13CYP11B2CYP11B1
SCHEMBL6490318 0.91 CLPP (0.47) CLPPMMP13CYP11B2NPBWR1
SCHEMBL6485610 0.90 CLPP (0.43) CLPPMMP13GABRA1GABRA2CYP11B2
SCHEMBL6499980 0.90 CLPP (0.43) CLPPMMP13GABRA1GABRA2CYP11B2
SCHEMBL6487309 0.90 CLPP (0.55) CLPPMMP13CYP11B2PRMT5WDR77
SCHEMBL6490608 0.90 CLPP (0.47) CLPPMMP13CYP11B2
SCHEMBL6486392 0.90 CLPP (0.43) CLPPMMP13CYP11B2PRMT5WDR77

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-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
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 3/4885GABRA1 4765/4885

“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.