SCHEMBL6498920

SCHEMBL6498920

COc1ccc(COC(=O)N2CCC3=C(C2)C(=O)N(Cc2ccccc2)CN3C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
KDM1A O60341 1/20 0.44
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
PTGDR2 Q9Y5Y4 8/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL6487338 0.93 TMEM97 (0.47) CHRM5TMEM97SIGMAR1
SCHEMBL6485731 0.91 PTGDR2 (0.42) CHRM5CHRM1TMEM97SIGMAR1PTGDR2
SCHEMBL6499661 0.91 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2
SCHEMBL6487329 0.90 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2
SCHEMBL6501893 0.90 TMEM97 (0.43) KDM1ATMEM97SIGMAR1PTGDR2
SCHEMBL6489882 0.90 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2
SCHEMBL6487210 0.90 PTGDR2 (0.42) TMEM97SIGMAR1PTGDR2
SCHEMBL6484787 0.88 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2
SCHEMBL6503118 0.88 TMEM97 (0.43) TMEM97SIGMAR1
SCHEMBL6486125 0.88 CLPP (0.42) 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 OPRM1 2728/4885OPRL1 3346/4885CHRM5 684/4885

“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.