SCHEMBL6487154

SCHEMBL6487154

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1ccc(N(C)C)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.43
SIGMAR1 Q99720 12/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH2 P25021 2/20 0.39
HTR2C P28335 2/20 0.39
HTR1E P28566 2/20 0.39
HRH1 P35367 2/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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 0.92 TMEM97 (0.48) TMEM97SIGMAR1ALDH1A1MAPTHPGD
SCHEMBL6496625 0.90 TMEM97 (0.45) TMEM97SIGMAR1PTGDR2HDAC1HDAC6
SCHEMBL6489104 0.88 SIGMAR1 (0.46) TMEM97SIGMAR1PTGDR2CHRM5HRH3
SCHEMBL6495760 0.87 TMEM97 (0.44) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6496283 0.85 CHRM4 (0.45) TMEM97SIGMAR1PTGDR2ALDH1A1
SCHEMBL6487473 0.83 SIGMAR1 (0.47) TMEM97SIGMAR1PTGDR2ALDH1A1MAPT
SCHEMBL6490718 0.82 ALDH1A1 (0.39) TMEM97SIGMAR1ALDH1A1HPGDHRH3
SCHEMBL6488679 0.82 TMEM97 (0.39) TMEM97SIGMAR1PTGDR2ALDH1A1HRH2
SCHEMBL6487624 0.82 TMEM97 (0.38) TMEM97SIGMAR1PTGDR2HRH2HTR2C
SCHEMBL6497047 0.81 SMN1; SMN2 (0.43) TMEM97SIGMAR1ALDH1A1MAPTHPGD

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 4243/4885PTGDR2 591/4885

“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.