SCHEMBL6487341

SCHEMBL6487341

O=c1c2c(ncn1Cc1ccc(-c3cccs3)cc1)CCN(CC#Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.51
MMP13 P45452 9/20 0.38
CHRM4 P08173 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
HTR2A P28223 1/20 0.34
USP7 Q93009 2/20 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
SCHEMBL6497694 0.90 CLPP (0.46) CLPPMMP13GABRA1GABRA2
SCHEMBL6497871 0.89 CLPP (0.55) CLPPMMP13
SCHEMBL6493978 0.88 CLPP (0.52) CLPPMMP13DRD2DRD4
SCHEMBL6494214 0.87 CLPP (0.59) CLPPMMP13
SCHEMBL6488598 0.86 CLPP (0.49) CLPPMMP13DRD2DRD4
SCHEMBL6488378 0.86 CLPP (0.53) CLPPMMP13DRD2DRD4
SCHEMBL6498298 0.85 CLPP (0.54) CLPPMMP13HTR2A
SCHEMBL6499196 0.85 CLPP (0.54) CLPPMMP13
SCHEMBL6485693 0.84 CLPP (0.52) CLPPMMP13
SCHEMBL6490010 0.84 CLPP (0.49) CLPPMMP13GABRA1GABRA2

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 3/4885CHRM4 2157/4885

“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.