SCHEMBL6487329

SCHEMBL6487329

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCc1ccc(Br)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.43
SIGMAR1 Q99720 8/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC10 Q969S8 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 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
SCHEMBL6487338 0.94 TMEM97 (0.47) TMEM97SIGMAR1HDAC1HDAC6MEN1
SCHEMBL6499661 0.92 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6501893 0.91 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2
SCHEMBL6489882 0.91 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6498920 0.90 OPRM1 (0.44) TMEM97SIGMAR1PTGDR2
SCHEMBL6484787 0.89 TMEM97 (0.42) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL6503118 0.89 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6MEN1
SCHEMBL6486125 0.88 CLPP (0.42) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6487210 0.87 PTGDR2 (0.42) TMEM97SIGMAR1PTGDR2CYP1A2CYP3A4
SCHEMBL6485731 0.85 PTGDR2 (0.42) TMEM97SIGMAR1PTGDR2MEN1KMT2A

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 4 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
WO-2004074278-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO 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 4243/4885HDAC1 199/4885

“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.