SCHEMBL6500006

SCHEMBL6500006

O=C(OCn1cccc1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
CLPP Q16740 1/20 0.42
P2RX3 P56373 1/20 0.38
TP53 P04637 3/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CXCR3 P49682 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DHFR P00374 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 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
SCHEMBL6488578 0.90 PKM (0.45) PKMCLPPP2RX3TP53OPRD1
SCHEMBL6494145 0.89 PKM (0.45) PKMCLPPP2RX3TP53OPRD1
SCHEMBL6484508 0.88 CLPP (0.44) PKMCLPPP2RX3TP53LMNA
SCHEMBL6490708 0.88 TMEM97 (0.48) PKMCLPPOPRD1OPRK1CXCR3
SCHEMBL6490322 0.87 CLPP (0.44) PKMCLPPP2RX3TP53LMNA
SCHEMBL6496073 0.86 CLPP (0.43) PKMCLPPP2RX3TP53LMNA
SCHEMBL6488059 0.83 CLPP (0.52) PKMCLPPTMEM97SIGMAR1ALDH1A1
SCHEMBL6489890 0.83 CXCR3 (0.45) PKMCLPPOPRD1OPRK1CXCR3
SCHEMBL6501807 0.83 HDAC1 (0.44) PKMCLPPOPRD1OPRK1CXCR3
SCHEMBL6488326 0.83 PKM (0.54) PKMALDH1A1PTGDR2HPGD

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 3602/4885P2RX3 3269/4885

“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.