SCHEMBL6502552

SCHEMBL6502552

COc1cccc(COC(=O)N2CCc3ncn(Cc4ccccc4)c(=O)c3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.46
P2RX3 P56373 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CLPP Q16740 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6490686 0.91 PTGDR2 (0.46) PTGDR2TMEM97SIGMAR1
SCHEMBL6490708 0.89 TMEM97 (0.48) PTGDR2OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6487406 0.88 PKM (0.42) PTGDR2TMEM97SIGMAR1CLPP
SCHEMBL6488059 0.84 CLPP (0.52) PTGDR2TMEM97SIGMAR1CLPPHPGD
SCHEMBL6489890 0.84 CXCR3 (0.45) PTGDR2OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6501807 0.84 HDAC1 (0.44) PTGDR2OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6488326 0.84 PKM (0.54) PTGDR2HPGD
SCHEMBL6488032 0.84 HDAC1 (0.46) PTGDR2OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6491009 0.83 PKM (0.46) PTGDR2OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6488619 0.83 PTGDR2 (0.44) PTGDR2OPRD1OPRK1TMEM97SIGMAR1

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 591/4885P2RX3 3269/4885OPRD1 1171/4885

“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.