SCHEMBL6485467

SCHEMBL6485467

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCn1cccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.37
SIGMAR1 Q99720 9/20 0.37
ALDH1A1 P00352 1/20 0.35
CHRM4 P08173 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6490718 0.90 ALDH1A1 (0.39) TMEM97SIGMAR1ALDH1A1
SCHEMBL6495646 0.89 CYP19A1 (0.38) TMEM97SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL6486970 0.88 TMEM97 (0.41) TMEM97SIGMAR1
SCHEMBL6496169 0.88 TMEM97 (0.48) TMEM97SIGMAR1ALDH1A1HTR1ACHRM5
SCHEMBL6494147 0.86 GRM5 (0.35) TMEM97SIGMAR1ALDH1A1OPRM1OPRD1
SCHEMBL6488679 0.83 TMEM97 (0.39) TMEM97SIGMAR1ALDH1A1HTR1ACHRM5
SCHEMBL6496625 0.83 TMEM97 (0.45) TMEM97SIGMAR1HTR1ACHRM5SLC6A2
SCHEMBL6498604 0.83 TMEM97 (0.34) TMEM97SIGMAR1ALDH1A1
SCHEMBL6495793 0.83 ALDH1A1 (0.41) SIGMAR1ALDH1A1
SCHEMBL6495760 0.82 TMEM97 (0.44) TMEM97SIGMAR1OPRD1OPRK1HTR1A

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 4243/4885ALDH1A1 1071/4885

“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.