SCHEMBL6493978

SCHEMBL6493978

O=c1c2c(ncn1Cc1ccc(-c3ccncc3)cc1)CCN(CC#Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.52
GRK2 P25098 1/20 0.44
MMP13 P45452 9/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTT P42858 1/20 0.34
CFTR P13569 1/20 0.34
LSS P48449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 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
SCHEMBL6497871 0.94 CLPP (0.55) CLPPGRK2MMP13HTT
SCHEMBL6488378 0.94 CLPP (0.53) CLPPGRK2MMP13DRD2DRD4
SCHEMBL6500875 0.93 CLPP (0.53) CLPPGRK2MMP13DRD2DRD4
SCHEMBL6494214 0.91 CLPP (0.59) CLPPMMP13HTTKDM4E
SCHEMBL6488598 0.90 CLPP (0.49) CLPPGRK2MMP13DRD2DRD4
SCHEMBL6496249 0.89 CLPP (0.50) CLPPGRK2MMP13HTT
SCHEMBL6499196 0.88 CLPP (0.54) CLPPMMP13HTTKDM4E
SCHEMBL6498298 0.88 CLPP (0.54) CLPPMMP13HTTKDM4E
SCHEMBL6495568 0.88 CLPP (0.49) CLPPMMP13HTT
SCHEMBL6487341 0.88 CLPP (0.51) CLPPMMP13DRD2DRD4

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 5 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
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 3602/4885GRK2 794/4885MMP13 3/4885

“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.