SCHEMBL6485722

SCHEMBL6485722

COc1ccc(C#CCN2CCc3ncn(Cc4ccc(C(F)(F)F)cc4)c(=O)c3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MMP13 P45452 3/20 0.41
NPBWR1 P48145 1/20 0.39
CYP11B2 P19099 1/20 0.38
PRLHR P49683 3/20 0.38
NR3C1 P04150 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 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
SCHEMBL6493997 0.93 CLPP (0.50) CLPPDRD2DRD4MMP13CYP11B2
SCHEMBL6484589 0.92 CLPP (0.46) CLPPDRD2DRD4DRD3MMP13
SCHEMBL6490608 0.91 CLPP (0.47) CLPPDRD2DRD4DRD3MMP13
SCHEMBL6490318 0.90 CLPP (0.47) CLPPDRD2DRD4DRD3MMP13
SCHEMBL6497860 0.90 CLPP (0.45) CLPPDRD2DRD4MMP13CYP11B2
SCHEMBL6487309 0.89 CLPP (0.55) CLPPDRD2DRD4MMP13CYP11B2
SCHEMBL6487777 0.89 CLPP (0.50) CLPPDRD2DRD4DRD3MMP13
SCHEMBL6485693 0.89 CLPP (0.52) CLPPMMP13
SCHEMBL6497781 0.89 CLPP (0.52) CLPPDRD2DRD4DRD3MMP13
SCHEMBL6490497 0.88 CLPP (0.46) CLPPMMP13CYP11B2TP53MAPT

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 2 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

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 3602/4885DRD2 963/4885DRD4 1688/4885

“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.