SCHEMBL6487281

SCHEMBL6487281

COc1cc(COC(=O)N2CCC3=C(CN(Cc4ccccc4)CN3C)C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.40
SIGMAR1 Q99720 10/20 0.40
PTGDR2 Q9Y5Y4 8/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1E P28566 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL6495760 0.87 TMEM97 (0.44) TMEM97SIGMAR1OPRD1OPRK1HTR1A
SCHEMBL6496169 0.86 TMEM97 (0.48) TMEM97SIGMAR1HTR1ACHRM5SLC6A2
SCHEMBL6487473 0.86 SIGMAR1 (0.47) TMEM97SIGMAR1PTGDR2
SCHEMBL6489104 0.84 SIGMAR1 (0.46) TMEM97SIGMAR1PTGDR2CHRM5
SCHEMBL6496625 0.84 TMEM97 (0.45) TMEM97SIGMAR1PTGDR2HTR1ACHRM5
SCHEMBL6495674 0.83 TMEM97 (0.39) TMEM97SIGMAR1PTGDR2OPRD1OPRK1
SCHEMBL6485589 0.81 GRIN2B (0.40) TMEM97SIGMAR1OPRD1OPRK1HTR1A
SCHEMBL6502757 0.80 TMEM97 (0.39) TMEM97SIGMAR1OPRD1
SCHEMBL6487154 0.80 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2HTR1ACHRM5
SCHEMBL6498455 0.79 TMEM97 (0.37) TMEM97SIGMAR1PTGDR2

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 TMEM97 3966/4885SIGMAR1 4243/4885PTGDR2 591/4885

“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.