SCHEMBL6488682

SCHEMBL6488682

CC(OC(=O)N1CCC2=C(CN(Cc3ccccc3)CN2C)C1)c1ccc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK14 Q16539 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32

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
SCHEMBL6487201 0.84 KDR (0.37) ALDH1A1L3MBTL1MAPK14
SCHEMBL6496169 0.79 TMEM97 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6495793 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6490718 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6486970 0.76 TMEM97 (0.41) MEN1KMT2A
SCHEMBL6485467 0.76 TMEM97 (0.37) ALDH1A1OPRD1OPRK1
SCHEMBL6496625 0.75 TMEM97 (0.45) MEN1KMT2ASMN1; SMN2LMNAPTGDR2
SCHEMBL6495760 0.74 TMEM97 (0.44) MEN1KMT2AOPRD1OPRK1
SCHEMBL6500709 0.74 CLPP (0.39) OPRD1OPRK1SMN1; SMN2PKMPTGDR2
SCHEMBL6488679 0.73 TMEM97 (0.39) ALDH1A1MEN1KMT2APTGDR2

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 ALDH1A1 1071/4885L3MBTL1 3776/4885ACHE 2016/4885

“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.