SCHEMBL6494475

SCHEMBL6494475

O=C(OCc1cnco1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
CLPP Q16740 1/20 0.40
DHFR P00374 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
CXCR3 P49682 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDR P35968 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6501587 0.88 PKM (0.41) PKMCLPPDHFROPRD1OPRK1
SCHEMBL6490708 0.88 TMEM97 (0.48) PKMCLPPDHFROPRD1OPRK1
SCHEMBL6498687 0.86 PKM (0.42) PKMCLPPDHFROPRD1OPRK1
SCHEMBL6489890 0.85 CXCR3 (0.45) PKMCLPPDHFROPRD1OPRK1
SCHEMBL6496293 0.84 PKM (0.42) PKMCLPPDHFROPRD1OPRK1
SCHEMBL6484876 0.83 KDR (0.41) PKMCLPPDHFRCXCR3TMEM97
SCHEMBL6488059 0.83 CLPP (0.52) PKMCLPPTMEM97SIGMAR1PTGDR2
SCHEMBL6502317 0.83 FNTA (0.43) PKMCLPPFNTAFNTBPGGT1B
SCHEMBL6496740 0.83 PKM (0.42) PKMCLPPDHFROPRD1OPRK1
SCHEMBL6488326 0.83 PKM (0.54) PKMPTGDR2ALDH1A1HPGD

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 3602/4885DHFR 252/4885

“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.