SCHEMBL6487429

SCHEMBL6487429

Cn1c(COC(=O)N2CCc3ncn(Cc4ccccc4)c(=O)c3C2)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
KDR P35968 1/20 0.40
GRM5 P41594 1/20 0.40
PKM P14618 1/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
CLPP Q16740 1/20 0.40
CXCR3 P49682 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC10 Q969S8 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.38
FAAH O00519 1/20 0.37
P2RX3 P56373 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 0.85 TMEM97 (0.48) DHFRKDRPKMTMEM97SIGMAR1
SCHEMBL6500706 0.84 PKM (0.42) DHFRKDRPKMTMEM97SIGMAR1
SCHEMBL6502317 0.84 FNTA (0.43) PKMTMEM97SIGMAR1CLPPCXCR3
SCHEMBL6496700 0.81 TMEM97 (0.44) DHFRKDRPKMTMEM97SIGMAR1
SCHEMBL6498358 0.81 PKM (0.42) DHFRKDRPKMTMEM97SIGMAR1
SCHEMBL6497368 0.81 KDR (0.52) DHFRKDRPKMCLPPCXCR3
SCHEMBL6484876 0.81 KDR (0.41) DHFRKDRPKMTMEM97SIGMAR1
SCHEMBL6489890 0.81 CXCR3 (0.45) DHFRKDRGRM5PKMTMEM97
SCHEMBL6488059 0.81 CLPP (0.52) PKMTMEM97SIGMAR1CLPPHDAC1
SCHEMBL6502552 0.80 PTGDR2 (0.46) TMEM97SIGMAR1CLPPPTGDR2P2RX3

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 DHFR 252/4885KDR 3681/4885GRM5 1011/4885

“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.