SCHEMBL6487500

SCHEMBL6487500

O=C(OCc1ccc[nH]1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
CLPP Q16740 1/20 0.40
PTGDR2 Q9Y5Y4 8/20 0.40
KDR P35968 1/20 0.39
CXCR3 P49682 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DHFR P00374 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GABRA5 P31644 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
F12 P00748 1/20 0.37

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 0.89 TMEM97 (0.48) PKMCLPPPTGDR2KDRCXCR3
SCHEMBL6497368 0.84 KDR (0.52) PKMCLPPPTGDR2KDRCXCR3
SCHEMBL6489890 0.84 CXCR3 (0.45) PKMCLPPPTGDR2KDRCXCR3
SCHEMBL6488059 0.84 CLPP (0.52) PKMCLPPPTGDR2TMEM97SIGMAR1
SCHEMBL6488326 0.83 PKM (0.54) PKMPTGDR2
SCHEMBL6488032 0.83 HDAC1 (0.46) PKMCLPPPTGDR2KDRCXCR3
SCHEMBL6501807 0.83 HDAC1 (0.44) PKMCLPPPTGDR2KDRCXCR3
SCHEMBL6490686 0.82 PTGDR2 (0.46) PKMPTGDR2TMEM97SIGMAR1
SCHEMBL6501587 0.82 PKM (0.41) PKMCLPPPTGDR2KDRCXCR3
SCHEMBL6496740 0.82 PKM (0.42) PKMCLPPPTGDR2KDRCXCR3

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 PKM 606/4885CLPP 3602/4885PTGDR2 591/4885

“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.