SCHEMBL6498455

SCHEMBL6498455

COc1ccc(COC(=O)N2CCC3=C(CN(Cc4ccccc4)CN3C)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.37
SIGMAR1 Q99720 7/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.36
LMNA P02545 2/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PDE4D Q08499 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
SCHEMBL6495768 0.89 TMEM97 (0.38) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6487401 0.88 TMEM97 (0.39) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6496169 0.86 TMEM97 (0.48) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6497047 0.85 SMN1; SMN2 (0.43) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6489104 0.84 SIGMAR1 (0.46) TMEM97SIGMAR1PTGDR2
SCHEMBL6498082 0.83 FAAH (0.39) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6487473 0.82 SIGMAR1 (0.47) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6496625 0.82 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2APTGDR2
SCHEMBL6502757 0.81 TMEM97 (0.39) TMEM97SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL6495760 0.81 TMEM97 (0.44) TMEM97SIGMAR1MEN1KMT2ANPSR1

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 4243/4885MEN1 2443/4885

“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.