SCHEMBL6490322

SCHEMBL6490322

O=C(OCN1Cc2ccccc2C1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.44
PKM P14618 1/20 0.42
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CXCR3 P49682 1/20 0.40
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
DHFR P00374 1/20 0.38
P2RX3 P56373 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 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
SCHEMBL6484508 0.91 CLPP (0.44) CLPPPKMCXCR3LMNAP2RX3
SCHEMBL6496073 0.89 CLPP (0.43) CLPPPKMLMNAALDH1A1NPSR1
SCHEMBL6500006 0.87 PKM (0.43) CLPPPKMTMEM97SIGMAR1CXCR3
SCHEMBL6490708 0.87 TMEM97 (0.48) CLPPPKMTMEM97SIGMAR1CXCR3
SCHEMBL6488578 0.85 PKM (0.45) CLPPPKMTMEM97SIGMAR1LMNA
SCHEMBL6488059 0.83 CLPP (0.52) CLPPPKMTMEM97SIGMAR1ALDH1A1
SCHEMBL6489890 0.83 CXCR3 (0.45) CLPPPKMTMEM97SIGMAR1CXCR3
SCHEMBL6494145 0.83 PKM (0.45) CLPPPKMTMEM97SIGMAR1LMNA
SCHEMBL6501807 0.82 HDAC1 (0.44) CLPPPKMTMEM97SIGMAR1CXCR3
SCHEMBL6488326 0.82 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 2 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

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 CLPP 3602/4885PKM 606/4885TMEM97 3966/4885

“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.