SCHEMBL6489602

SCHEMBL6489602

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCc1cc3ccccc3s1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.38
SIGMAR1 Q99720 8/20 0.38
FAAH O00519 1/20 0.36
KDR P35968 1/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CYP1A2 P05177 1/20 0.34

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 0.86 TMEM97 (0.47) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL6501727 0.84 HTR2B (0.40) TMEM97SIGMAR1KDRMEN1KMT2A
SCHEMBL6498082 0.83 FAAH (0.39) TMEM97SIGMAR1FAAHLMNAMEN1
SCHEMBL6489961 0.82 TMEM97 (0.38) TMEM97SIGMAR1FAAHKDRADORA2A
SCHEMBL6486678 0.82 KDR (0.46) TMEM97SIGMAR1KDRADORA2AADORA2B
SCHEMBL6499661 0.82 TMEM97 (0.43) TMEM97SIGMAR1CYP1A2CYP3A4GRM5
SCHEMBL6489882 0.81 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2AADORA2A
SCHEMBL6503118 0.81 TMEM97 (0.43) TMEM97SIGMAR1KDRMEN1KMT2A
SCHEMBL6487329 0.81 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2ACYP1A2
SCHEMBL6501893 0.81 TMEM97 (0.43) TMEM97SIGMAR1LMNA

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 4243/4885FAAH 3450/4885

“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.