SCHEMBL22039636

SCHEMBL22039636

C#CCN1C(=O)C2(CC2)Oc2cc(F)c(N3C(=O)c4ccccc4C3=O)cc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
NR3C2 P08235 2/20 0.35
GRM1 Q13255 4/20 0.35
GALR3 O60755 1/20 0.33
TRPA1 O75762 1/20 0.33
GRM4 Q14833 2/20 0.33
CASP3 P42574 1/20 0.33
GRM7 Q14831 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 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
SCHEMBL22039892 0.91 GRM1 (0.39) MAOAMAOBNR3C2GRM1GALR3
SCHEMBL22039645 0.91 NR3C2 (0.38) MAOAMAOBALDH1A1GAANR3C2
SCHEMBL20693118 0.89 ESR1 (0.47) ALDH1A1GAANR3C2OPRD1
SCHEMBL22039637 0.89 GRM1 (0.40) NR3C2GRM1GRM4GRM7
SCHEMBL20693054 0.87 NR3C2 (0.39) ALDH1A1GAANR3C2GRM1GRM4
SCHEMBL20693107 0.86 ALDH1A1 (0.39) ALDH1A1NR3C2KDM4EKMT2A
SCHEMBL20693084 0.85 GRM1 (0.36) GRM1GRM4GRM7
SCHEMBL20680767 0.84 NR3C2 (0.35) ALDH1A1GAANR3C2
SCHEMBL20693113 0.84 NR3C2 (0.35) ALDH1A1GAANR3C2
SCHEMBL30798716 0.84 NR3C2 (0.35) ALDH1A1GAANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658551-B1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2022-01-19 EP disclosed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 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-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES CBR3, CBR1, CYP4X1 MAOA 2494/4885MAOB 1469/4885ALDH1A1 336/4885

“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.