SCHEMBL6484876

SCHEMBL6484876

O=C(OCc1cc2ccccc2o1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2B P41595 1/20 0.40
CLPP Q16740 1/20 0.40
DHFR P00374 1/20 0.40
PKM P14618 1/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.38
CXCR3 P49682 2/20 0.37
GRIN2B Q13224 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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 0.85 TMEM97 (0.48) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6501587 0.84 PKM (0.41) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6494475 0.83 PKM (0.40) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6498687 0.83 PKM (0.42) CLPPDHFRPKMPTGDR2CXCR3
SCHEMBL6498358 0.83 PKM (0.42) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6497368 0.81 KDR (0.52) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6489890 0.81 CXCR3 (0.45) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6488059 0.81 CLPP (0.52) CLPPPKMPTGDR2TMEM97SIGMAR1
SCHEMBL6496740 0.81 PKM (0.42) KDRCLPPDHFRPKMPTGDR2
SCHEMBL6487429 0.81 DHFR (0.41) KDRCLPPDHFRPKMPTGDR2

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 KDR 3681/4885HTR1A 3646/4885HTR2B 4062/4885

“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.