SCHEMBL6487253

SCHEMBL6487253

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.46
MMP13 P45452 5/20 0.41
CYP11B2 P19099 1/20 0.39
GRIN1 Q05586 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MAPT P10636 2/20 0.34
ADRB2 P07550 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CFTR P13569 1/20 0.34
APP P05067 1/20 0.34
SNCA P37840 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL6493997 0.94 CLPP (0.50) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6490318 0.91 CLPP (0.47) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6490608 0.90 CLPP (0.47) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6487309 0.90 CLPP (0.55) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6500010 0.90 CLPP (0.52) CLPPMMP13MAPTTDP1HSP90AB1
SCHEMBL6497781 0.90 CLPP (0.52) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6497773 0.90 CLPP (0.50) CLPPMMP13CYP11B2HSP90AB1
SCHEMBL6487777 0.90 CLPP (0.50) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6498893 0.89 CLPP (0.44) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6490497 0.89 CLPP (0.46) CLPPMMP13CYP11B2GRIN1MAPT

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 3/4885CYP11B2 151/4885

“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.