SCHEMBL6487433

SCHEMBL6487433

CC(OC(=O)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1)c1cc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
CLPP Q16740 1/20 0.39
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX3 P56373 1/20 0.35
CALCRL Q16602 1/20 0.35
HPGD P15428 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) CLPPPKMPTGDR2OPRD1OPRK1
SCHEMBL6497368 0.83 KDR (0.52) KDRCLPPPKMPTGDR2
SCHEMBL6496704 0.81 P2RX3 (0.39) CLPPPKMPTGDR2OPRD1OPRK1
SCHEMBL6496207 0.81 CLPP (0.38) CLPPPKMPTGDR2OPRD1OPRK1
SCHEMBL6489803 0.79 CLPP (0.40) KDRCLPP
SCHEMBL6490708 0.76 TMEM97 (0.48) KDRCLPPPKMPTGDR2OPRD1
SCHEMBL6489965 0.76 KDR (0.38) KDRIDO1PTGDR2CALCRLHPGD
SCHEMBL6487201 0.75 KDR (0.37) KDRCALCRL
SCHEMBL6484876 0.74 KDR (0.41) KDRCLPPPKMPTGDR2
SCHEMBL6487429 0.74 DHFR (0.41) KDRCLPPPKMPTGDR2P2RX3

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 3681/4885CLPP 3602/4885PKM 606/4885

“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.