SCHEMBL6487633

SCHEMBL6487633

N#Cc1ccc(Cn2cnc3c(c2=O)CN(CC#Cc2ccccc2)CC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.63
MMP13 P45452 9/20 0.49
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 1/20 0.41
HTT P42858 1/20 0.41
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL6494214 0.92 CLPP (0.59) CLPPMMP13HTTCYP11B2
SCHEMBL6497871 0.90 CLPP (0.55) CLPPMMP13HTTCYP11B1CYP11B2
SCHEMBL6498298 0.90 CLPP (0.54) CLPPMMP13HTTCYP11B2
SCHEMBL6499196 0.90 CLPP (0.54) CLPPMMP13HTTPRMT5WDR77
SCHEMBL6487309 0.89 CLPP (0.55) CLPPMMP13PRMT5WDR77CYP11B2
SCHEMBL6495058 0.89 CLPP (0.54) CLPPMMP13HTT
SCHEMBL6486230 0.89 CLPP (0.62) CLPPMMP13
SCHEMBL6488378 0.89 CLPP (0.53) CLPPMMP13
SCHEMBL6500917 0.88 CLPP (0.53) CLPPMMP13HTT
SCHEMBL6501655 0.88 MMP13 (0.54) CLPPMMP13

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
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US claimed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US claimed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 3/4885FNTA 2990/4885

“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.