SCHEMBL6807230

SCHEMBL6807230

CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3cc4c(cc3F)c(=O)n(OCc3ccccc3)c(=O)n4C3CC3)C[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KLK7 P49862 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OGFRL1 Q5TC84 2/20 0.36
OPRD1 P41143 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
THRB P10828 2/20 0.33
USP30 Q70CQ3 2/20 0.33
HRH3 Q9Y5N1 4/20 0.33
TOP1 P11387 1/20 0.32

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
SCHEMBL6807232 1.00 NR1H2 (0.37) NR1H2NR1H3KLK7OPRM1OPRK1
SCHEMBL6801162 0.82 KMT2A (0.42) OPRM1OPRK1OGFRL1OPRD1TOP1
SCHEMBL6799741 0.81 THRB (0.41) THRBHRH3TOP1
SCHEMBL6803072 0.81 KMT2A (0.39) OPRM1OPRK1OGFRL1OPRD1TOP1
SCHEMBL6803077 0.81 KMT2A (0.39) OPRM1OPRK1OGFRL1OPRD1TOP1
SCHEMBL6801002 0.80 PIM1 (0.43) OPRM1OPRK1OGFRL1OPRD1TOP1
SCHEMBL6802024 0.79 ACACB (0.43) TOP1
SCHEMBL7009095 0.77 TOP1 (0.39) THRBTOP1
SCHEMBL4513201 0.71 BTK (0.39) NR1H2NR1H3
SCHEMBL6802031 0.71 TOP1 (0.44) THRBTOP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US claimed
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP disclosed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US disclosed
US-6331538-B1 TREATMENT OF BACTERIAL INFECTION WARNER-LAMBERT COMPANY 2001-12-18 US 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-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents NQO2, TOP1, TOP2A NR1H2 3566/4885NR1H3 3751/4885KLK7 740/4885

“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.