SCHEMBL6495674

SCHEMBL6495674

COc1cc(COC(=O)N2CCC3=C(C2)C(=O)N(Cc2ccccc2)CN3C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.39
SIGMAR1 Q99720 7/20 0.39
PTGDR2 Q9Y5Y4 10/20 0.37
GRM5 P41594 1/20 0.37
KDR P35968 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL6503118 0.87 TMEM97 (0.43) TMEM97SIGMAR1GRM5KDROPRD1
SCHEMBL6487338 0.87 TMEM97 (0.47) TMEM97SIGMAR1GRM5
SCHEMBL6485731 0.86 PTGDR2 (0.42) TMEM97SIGMAR1PTGDR2OPRD1OPRK1
SCHEMBL6498920 0.85 OPRM1 (0.44) TMEM97SIGMAR1PTGDR2
SCHEMBL6487281 0.83 TMEM97 (0.40) TMEM97SIGMAR1PTGDR2OPRD1OPRK1
SCHEMBL6499661 0.83 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2GRM5
SCHEMBL6501893 0.82 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2
SCHEMBL6489882 0.82 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2GRM5
SCHEMBL6487329 0.82 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2GRM5
SCHEMBL6484787 0.80 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2GRM5

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.