SCHEMBL6488679

SCHEMBL6488679

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1cccn1C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.39
SIGMAR1 Q99720 12/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH2 P25021 2/20 0.36
HTR2C P28335 2/20 0.36
HTR1E P28566 2/20 0.36
HRH1 P35367 2/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6496169 0.89 TMEM97 (0.48) TMEM97SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL6496625 0.85 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2AHRH2
SCHEMBL6495760 0.84 TMEM97 (0.44) TMEM97SIGMAR1CYP2D6MEN1KMT2A
SCHEMBL6487198 0.84 FAAH (0.41) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6485467 0.83 TMEM97 (0.37) TMEM97SIGMAR1ALDH1A1HRH2HTR2C
SCHEMBL6490718 0.83 ALDH1A1 (0.39) TMEM97SIGMAR1CYP2D6MEN1KMT2A
SCHEMBL6489104 0.83 SIGMAR1 (0.46) TMEM97SIGMAR1CYP2D6CHRM5PTGDR2
SCHEMBL6502757 0.82 TMEM97 (0.39) TMEM97SIGMAR1CYP2D6MEN1KMT2A
SCHEMBL6487154 0.82 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL6497047 0.82 SMN1; SMN2 (0.43) TMEM97SIGMAR1CYP2D6MEN1KMT2A

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 4243/4885CYP2D6 743/4885

“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.