SCHEMBL6494147

SCHEMBL6494147

Cc1cn(COC(=O)N2CCC3=C(CN(Cc4ccccc4)CN3C)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
TP53 P04637 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6485467 0.86 TMEM97 (0.37) OPRM1OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6495646 0.85 CYP19A1 (0.38) CYP1A2CYP3A4OPRM1OPRD1OPRK1
SCHEMBL6490718 0.84 ALDH1A1 (0.39) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL6486970 0.82 TMEM97 (0.41) CYP3A4MEN1KMT2ATMEM97SIGMAR1
SCHEMBL6496169 0.82 TMEM97 (0.48) GRM5CYP1A2CYP3A4MEN1KMT2A
SCHEMBL6498604 0.81 TMEM97 (0.34) GRM5CYP1A2CYP3A4MEN1KMT2A
SCHEMBL6496625 0.80 TMEM97 (0.45) GRM5CYP1A2CYP3A4MEN1KMT2A
SCHEMBL6495760 0.79 TMEM97 (0.44) GRM5CYP1A2CYP3A4OPRD1OPRK1
SCHEMBL6495793 0.78 ALDH1A1 (0.41) MEN1KMT2ASIGMAR1LMNAALDH1A1
SCHEMBL6485589 0.77 GRIN2B (0.40) CYP3A4OPRM1OPRD1OPRK1TMEM97

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 GRM5 1011/4885CYP1A2 787/4885CYP3A4 694/4885

“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.