SCHEMBL6493997

SCHEMBL6493997

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.50
MMP13 P45452 5/20 0.45
CYP11B2 P19099 1/20 0.43
GRIN1 Q05586 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ACACB O00763 1/20 0.36
MAPT P10636 1/20 0.36
DHFR P00374 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
SCHEMBL6490318 0.96 CLPP (0.47) CLPPMMP13CYP11B2GRIN1DRD2
SCHEMBL6490608 0.95 CLPP (0.47) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6487309 0.95 CLPP (0.55) CLPPMMP13CYP11B2GRIN1DRD2
SCHEMBL6497781 0.95 CLPP (0.52) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6487777 0.95 CLPP (0.50) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6490497 0.95 CLPP (0.46) CLPPMMP13CYP11B2GRIN1MAPT
SCHEMBL6497860 0.94 CLPP (0.45) CLPPMMP13CYP11B2GRIN1DRD2
SCHEMBL6484589 0.94 CLPP (0.46) CLPPMMP13CYP11B2GRIN1DRD2
SCHEMBL6487253 0.94 CLPP (0.46) CLPPMMP13CYP11B2GRIN1DRD2
SCHEMBL6498835 0.94 CLPP (0.46) CLPPMMP13CYP11B2GRIN1DRD2

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.