SCHEMBL6487338

SCHEMBL6487338

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.47
SIGMAR1 Q99720 12/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 2/20 0.42
HRH2 P25021 2/20 0.42
HTR1B P28222 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR1E P28566 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL6499661 0.95 TMEM97 (0.43) TMEM97SIGMAR1CYP1A2CYP3A4GRM5
SCHEMBL6489882 0.94 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL6501893 0.94 TMEM97 (0.43) TMEM97SIGMAR1SMN1; SMN2
SCHEMBL6487329 0.94 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL6503118 0.94 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL6498920 0.93 OPRM1 (0.44) TMEM97SIGMAR1CHRM5
SCHEMBL6484787 0.93 TMEM97 (0.42) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL6486125 0.92 CLPP (0.42) TMEM97SIGMAR1HDAC1HDAC6
SCHEMBL6487210 0.90 PTGDR2 (0.42) TMEM97SIGMAR1CYP1A2CYP3A4GRM5
SCHEMBL6485731 0.90 PTGDR2 (0.42) TMEM97SIGMAR1MEN1KMT2ASMN1; SMN2

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 4243/4885MEN1 2443/4885

“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.