SCHEMBL21361218

SCHEMBL21361218

COc1cc(-c2ncc(F)cn2)cc(OC)c1C1C(=O)CC2(CCN(OC)CC2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
GRIN1 Q05586 5/20 0.33
GRIN2B Q13224 5/20 0.33
P2RX7 Q99572 1/20 0.33
MAP3K11 Q16584 2/20 0.33
MAPK7 Q13164 1/20 0.32
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
PDE4B Q07343 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL21361288 0.94 P2RX7 (0.33) ACACBGRIN1GRIN2BP2RX7MAP3K11
SCHEMBL21357809 0.90 P2RX7 (0.32) ACACBGRIN1GRIN2BP2RX7
SCHEMBL22859575 0.87 CYP2D6 (0.37) ACACBGRIN1GRIN2BP2RX7
SCHEMBL21361215 0.84 PDE4B (0.35) GRIN1GRIN2BPDE4B
SCHEMBL21361309 0.81 CYP2D6 (0.35) ACACBGRIN1GRIN2BP2RX7
SCHEMBL21361243 0.80 MCHR1 (0.31) GRIN1GRIN2B
SCHEMBL21361220 0.78 CNR1 (0.37) PDE4B
SCHEMBL24120317 0.75 CHRM4 (0.35) ACACB
SCHEMBL24120456 0.75 ACACB (0.35) ACACBGRIN1GRIN2BP2RX7
SCHEMBL21361217 0.75 CNR1 (0.38)

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
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 ACACB 734/4885GRIN1 1781/4885GRIN2B 2515/4885

“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.