SCHEMBL6486566

SCHEMBL6486566

O=c1c2c(ncn1Cc1ccccc1)CCN(CC#Cc1ccno1)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 10/20 0.49
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA2A P29274 1/20 0.36
MMP13 P45452 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6486834 0.86 CLPP (0.48) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6498112 0.86 CLPP (0.49) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6494214 0.85 CLPP (0.59) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6490661 0.84 CLPP (0.51) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6500875 0.84 CLPP (0.53) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6486140 0.83 CLPP (0.52) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6488378 0.82 CLPP (0.53) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6486230 0.82 CLPP (0.62) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6485895 0.81 CLPP (0.52) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6498298 0.81 CLPP (0.54) CLPPMMP13SMN1; SMN2HTTCYP11B2

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 3602/4885CYP1A2 787/4885GAA 711/4885

“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.