SCHEMBL6498112

SCHEMBL6498112

O=c1c2c(ncn1Cc1ccccc1)CCN(CC#Cc1ccco1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.49
GAA P10253 3/20 0.36
CYP1A2 P05177 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 2/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.34
CYP11B2 P19099 1/20 0.34
USP2 O75604 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 0.87 CLPP (0.48) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6490661 0.87 CLPP (0.51) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6494214 0.86 CLPP (0.59) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6486566 0.86 CLPP (0.49) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6502336 0.84 CLPP (0.49) CLPPADORA2AMMP13HTTALDH1A1
SCHEMBL6486230 0.83 CLPP (0.62) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6500875 0.83 CLPP (0.53) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6485895 0.82 CLPP (0.52) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6486140 0.82 CLPP (0.52) CLPPGAACYP1A2CYP2C9ADORA2A
SCHEMBL6491039 0.82 CLPP (0.52) CLPPGAACYP1A2CYP2C9ADORA2A

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 3602/4885GAA 711/4885CYP1A2 787/4885

“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.