SCHEMBL6497871

SCHEMBL6497871

O=c1c2c(ncn1Cc1ccc(-c3ccccc3)cc1)CCN(CC#Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.55
MMP13 P45452 9/20 0.42
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 1/20 0.36
GRK2 P25098 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA2A P29274 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6493978 0.94 CLPP (0.52) CLPPMMP13HTTGRK2
SCHEMBL6494214 0.94 CLPP (0.59) CLPPMMP13CYP11B2HTTCYP1A2
SCHEMBL6496249 0.92 CLPP (0.50) CLPPMMP13HTTGRK2CYP1A2
SCHEMBL6498298 0.91 CLPP (0.54) CLPPMMP13CYP11B2HTTSMN1; SMN2
SCHEMBL6499196 0.91 CLPP (0.54) CLPPMMP13CYP11B1CYP11B2HTT
SCHEMBL6484792 0.91 CLPP (0.47) CLPPMMP13CYP11B1CYP11B2
SCHEMBL6495568 0.91 CLPP (0.49) CLPPMMP13HTTCYP1A2GAA
SCHEMBL6488598 0.91 CLPP (0.49) CLPPMMP13HTTGRK2CYP1A2
SCHEMBL6495058 0.90 CLPP (0.54) CLPPMMP13HTTCYP1A2GAA
SCHEMBL6487633 0.90 CLPP (0.63) CLPPMMP13CYP11B1CYP11B2HTT

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 3/4885CYP11B1 122/4885

“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.