SCHEMBL6489104

SCHEMBL6489104

COc1ccc(COC(=O)N2CCC3=C(CN(Cc4ccccc4)CN3C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
KDM1A O60341 1/20 0.45
TMEM97 Q5BJF2 4/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
FAAH O00519 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6496169 0.93 TMEM97 (0.48) SIGMAR1TMEM97CHRM5HRH3
SCHEMBL6487473 0.91 SIGMAR1 (0.47) SIGMAR1TMEM97PTGDR2FAAH
SCHEMBL6496625 0.90 TMEM97 (0.45) SIGMAR1KDM1ATMEM97PTGDR2CHRM5
SCHEMBL6496283 0.89 CHRM4 (0.45) SIGMAR1TMEM97PTGDR2TSHR
SCHEMBL6487154 0.88 TMEM97 (0.43) SIGMAR1TMEM97PTGDR2CHRM5HRH3
SCHEMBL6495760 0.88 TMEM97 (0.44) SIGMAR1TMEM97CHRM5CYP2D6
SCHEMBL6487281 0.84 TMEM97 (0.40) SIGMAR1TMEM97PTGDR2CHRM5
SCHEMBL6498455 0.84 TMEM97 (0.37) SIGMAR1TMEM97PTGDR2
SCHEMBL6490718 0.83 ALDH1A1 (0.39) SIGMAR1TMEM97HRH3CYP2D6TSHR
SCHEMBL6488679 0.83 TMEM97 (0.39) SIGMAR1TMEM97PTGDR2CHRM5HRH3

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 SIGMAR1 4243/4885KDM1A 733/4885TMEM97 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.