SCHEMBL6497047

SCHEMBL6497047

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1cccs1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SIGMAR1 Q99720 11/20 0.41
TMEM97 Q5BJF2 10/20 0.41
HTT P42858 1/20 0.39
PDE4D Q08499 2/20 0.39
HTR1A P08908 2/20 0.37
HRH2 P25021 2/20 0.37
HTR1B P28222 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR1E P28566 2/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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 0.88 TMEM97 (0.48) SMN1; SMN2HSD17B10SIGMAR1TMEM97HTR1A
SCHEMBL6495768 0.86 TMEM97 (0.38) HSD17B10SIGMAR1TMEM97PDE4DHTR1A
SCHEMBL6495760 0.85 TMEM97 (0.44) SIGMAR1TMEM97HTR1AHRH2HTR1B
SCHEMBL6485589 0.85 GRIN2B (0.40) SMN1; SMN2SIGMAR1TMEM97HTR1AHRH2
SCHEMBL6498455 0.85 TMEM97 (0.37) HSD17B10SIGMAR1TMEM97PDE4DMEN1
SCHEMBL6487401 0.85 TMEM97 (0.39) HSD17B10SIGMAR1TMEM97PDE4DHTR1A
SCHEMBL6498082 0.84 FAAH (0.39) HSD17B10SIGMAR1TMEM97HTTHTR1A
SCHEMBL6496625 0.84 TMEM97 (0.45) SMN1; SMN2SIGMAR1TMEM97HTR1AHRH2
SCHEMBL6502757 0.83 TMEM97 (0.39) SIGMAR1TMEM97MEN1KMT2ANPSR1
SCHEMBL6490718 0.82 ALDH1A1 (0.39) SMN1; SMN2SIGMAR1TMEM97HRH3MEN1

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 SMN1; SMN2 969/4885HSD17B10 1899/4885SIGMAR1 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.