SCHEMBL6496704

SCHEMBL6496704

CC(OC(=O)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1)c1cc[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.39
PKM P14618 1/20 0.39
CLPP Q16740 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
PRLHR P49683 1/20 0.35
GRIN2B Q13224 1/20 0.35
MTHFD2 P13995 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
SCHEMBL6500709 0.85 CLPP (0.39) P2RX3PKMCLPPPTGDR2OPRD1
SCHEMBL6496207 0.85 CLPP (0.38) P2RX3PKMCLPPPTGDR2OPRD1
SCHEMBL6487433 0.81 KDR (0.43) P2RX3PKMCLPPPTGDR2OPRD1
SCHEMBL6490708 0.78 TMEM97 (0.48) PKMCLPPPTGDR2OPRD1OPRK1
SCHEMBL6487500 0.76 PKM (0.41) PKMCLPPPTGDR2OPRD1OPRK1
SCHEMBL6500706 0.75 PKM (0.42) P2RX3PKMCLPPPTGDR2OPRD1
SCHEMBL6496700 0.75 TMEM97 (0.44) P2RX3PKMCLPPPTGDR2OPRD1
SCHEMBL6484508 0.75 CLPP (0.44) P2RX3PKMCLPP
SCHEMBL6500006 0.75 PKM (0.43) P2RX3PKMCLPPPTGDR2OPRD1
SCHEMBL6488578 0.74 PKM (0.45) P2RX3PKMCLPPPTGDR2OPRD1

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 P2RX3 3269/4885PKM 606/4885CLPP 3602/4885

“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.