SCHEMBL6490686

SCHEMBL6490686

COc1ccc(COC(=O)N2CCc3ncn(Cc4ccccc4)c(=O)c3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.46
KDM1A O60341 1/20 0.46
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6490708 0.92 TMEM97 (0.48) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6502552 0.91 PTGDR2 (0.46) PTGDR2TMEM97SIGMAR1
SCHEMBL6488059 0.90 CLPP (0.52) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6488326 0.89 PKM (0.54) PTGDR2PKM
SCHEMBL6501807 0.89 HDAC1 (0.44) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6488032 0.89 HDAC1 (0.46) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6488619 0.88 PTGDR2 (0.44) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6491009 0.88 PKM (0.46) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6489890 0.88 CXCR3 (0.45) PTGDR2TMEM97SIGMAR1PKM
SCHEMBL6487406 0.86 PKM (0.42) PTGDR2TMEM97SIGMAR1PKM

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 6 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
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 PTGDR2 591/4885KDM1A 733/4885TMEM97 3966/4885

“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.