SCHEMBL6487198

SCHEMBL6487198

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1cc3ccccc3n1C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
TMEM97 Q5BJF2 11/20 0.39
SIGMAR1 Q99720 11/20 0.39
DHFR P00374 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC10 Q969S8 1/20 0.36
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
SRC P12931 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 0.86 TMEM97 (0.48) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6488679 0.84 TMEM97 (0.39) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6489961 0.83 TMEM97 (0.38) FAAHTMEM97SIGMAR1DHFRHDAC1
SCHEMBL6486984 0.82 KDR (0.45) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6498082 0.82 FAAH (0.39) FAAHTMEM97SIGMAR1HRH2HTR2C
SCHEMBL6499028 0.82 HTR2B (0.45) TMEM97SIGMAR1HTR1AHTR2BDRD3
SCHEMBL6496625 0.82 TMEM97 (0.45) TMEM97SIGMAR1HDAC1HDAC6HRH2
SCHEMBL6495760 0.81 TMEM97 (0.44) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6487473 0.80 SIGMAR1 (0.47) FAAHTMEM97SIGMAR1PTGDR2
SCHEMBL6490718 0.80 ALDH1A1 (0.39) TMEM97SIGMAR1HRH3

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 2 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

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 FAAH 3450/4885TMEM97 3966/4885SIGMAR1 4243/4885

“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.