SCHEMBL6487473

SCHEMBL6487473

COc1cccc(COC(=O)N2CCC3=C(CN(Cc4ccccc4)CN3C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
FAAH O00519 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
TMEM97 Q5BJF2 4/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6489104 0.91 SIGMAR1 (0.46) SIGMAR1FAAHPTGDR2TMEM97
SCHEMBL6496169 0.90 TMEM97 (0.48) SIGMAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6487281 0.86 TMEM97 (0.40) SIGMAR1PTGDR2TMEM97
SCHEMBL6496625 0.85 TMEM97 (0.45) SIGMAR1MEN1KMT2ALMNAPTGDR2
SCHEMBL6495760 0.84 TMEM97 (0.44) SIGMAR1MEN1KMT2ATMEM97
SCHEMBL6487154 0.83 TMEM97 (0.43) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6485731 0.82 PTGDR2 (0.42) SIGMAR1FAAHL3MBTL1MEN1KMT2A
SCHEMBL6498455 0.82 TMEM97 (0.37) SIGMAR1MEN1KMT2ALMNAALDH1A1
SCHEMBL6496283 0.82 CHRM4 (0.45) SIGMAR1ALDH1A1PTGDR2TMEM97
SCHEMBL6490718 0.82 ALDH1A1 (0.39) SIGMAR1MEN1KMT2AKDM4EALDH1A1

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 2 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

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 4243/4885FAAH 3450/4885L3MBTL1 3776/4885

“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.