SCHEMBL6485589

SCHEMBL6485589

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1nccs1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
TMEM97 Q5BJF2 8/20 0.39
SIGMAR1 Q99720 8/20 0.39
CYP3A4 P08684 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 2/20 0.39
USP2 O75604 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 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) TMEM97SIGMAR1CYP3A4SMN1; SMN2HRH1
SCHEMBL6497047 0.85 SMN1; SMN2 (0.43) TMEM97SIGMAR1SMN1; SMN2HRH1ALDH1A1
SCHEMBL6495760 0.84 TMEM97 (0.44) GRIN2BTMEM97SIGMAR1CYP3A4HRH1
SCHEMBL6498302 0.83 CYP1A2 (0.44) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL6496625 0.82 TMEM97 (0.45) TMEM97SIGMAR1CYP3A4SMN1; SMN2HRH1
SCHEMBL6487281 0.81 TMEM97 (0.40) TMEM97SIGMAR1HRH1OPRD1OPRK1
SCHEMBL6495768 0.80 TMEM97 (0.38) TMEM97SIGMAR1HRH1ALDH1A1TP53
SCHEMBL6490718 0.80 ALDH1A1 (0.39) TMEM97SIGMAR1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL6488679 0.80 TMEM97 (0.39) TMEM97SIGMAR1CYP3A4HRH1USP2
SCHEMBL6489104 0.80 SIGMAR1 (0.46) TMEM97SIGMAR1CYP2D6CHRM5

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 GRIN2B 2765/4885TMEM97 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.