SCHEMBL6494145

SCHEMBL6494145

Cc1ccn(COC(=O)N2CCc3ncn(Cc4ccccc4)c(=O)c3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
CLPP Q16740 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
P2RX3 P56373 1/20 0.37
MAPT P10636 1/20 0.37
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
RECQL P46063 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6488578 0.90 PKM (0.45) PKMTP53LMNACLPPALDH1A1
SCHEMBL6500006 0.89 PKM (0.43) PKMTP53LMNACLPPALDH1A1
SCHEMBL6484508 0.83 CLPP (0.44) PKMTP53LMNACLPPP2RX3
SCHEMBL6490708 0.83 TMEM97 (0.48) PKMCLPPOPRD1OPRK1TMEM97
SCHEMBL6490322 0.83 CLPP (0.44) PKMTP53LMNACLPPALDH1A1
SCHEMBL6496700 0.81 TMEM97 (0.44) PKMCLPPOPRD1OPRK1P2RX3
SCHEMBL6496073 0.81 CLPP (0.43) PKMTP53LMNACLPPALDH1A1
SCHEMBL6488326 0.80 PKM (0.54) PKMALDH1A1PTGDR2
SCHEMBL6500706 0.80 PKM (0.42) PKMCLPPALDH1A1OPRD1OPRK1
SCHEMBL6489890 0.79 CXCR3 (0.45) PKMCLPPOPRD1OPRK1TMEM97

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 606/4885TP53 3469/4885LMNA 3536/4885

“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.