SCHEMBL6487777

SCHEMBL6487777

COc1ccc(C#CCN2CCc3ncn(Cc4ccccc4)c(=O)c3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.50
MMP13 P45452 4/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
C5AR1 P21730 1/20 0.40
ACHE P22303 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA2 P47869 1/20 0.39
CYP11B2 P19099 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6497781 0.96 CLPP (0.52) CLPPMMP13DRD2DRD4DRD3
SCHEMBL6493997 0.95 CLPP (0.50) CLPPMMP13DRD2DRD4CYP11B2
SCHEMBL6484792 0.95 CLPP (0.47) CLPPMMP13GABRA1GABRA2CYP11B2
SCHEMBL6490318 0.92 CLPP (0.47) CLPPMMP13DRD2DRD4DRD3
SCHEMBL6497860 0.92 CLPP (0.45) CLPPMMP13DRD2DRD4CYP11B2
SCHEMBL6487309 0.91 CLPP (0.55) CLPPMMP13DRD2DRD4CYP11B2
SCHEMBL6490608 0.91 CLPP (0.47) CLPPMMP13DRD2DRD4DRD3
SCHEMBL6500861 0.91 MMP13 (0.56) CLPPMMP13CYP11B2
SCHEMBL6494214 0.91 CLPP (0.59) CLPPMMP13CYP11B2
SCHEMBL6502771 0.90 CLPP (0.54) CLPPMMP13DRD2DRD4DRD3

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 3/4885DRD2 963/4885

“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.