SCHEMBL21361288

SCHEMBL21361288

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
ACACB O00763 2/20 0.33
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
MAP3K11 Q16584 2/20 0.31
PDE10A Q9Y233 1/20 0.31
KIT P10721 1/20 0.30
S1PR1 P21453 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
SCHEMBL21357809 0.95 P2RX7 (0.32) P2RX7ACACBGRIN1GRIN2B
SCHEMBL21361218 0.94 ACACB (0.34) P2RX7ACACBGRIN1GRIN2BMAP3K11
SCHEMBL21361309 0.88 CYP2D6 (0.35) P2RX7ACACBGRIN1GRIN2B
SCHEMBL21361220 0.85 CNR1 (0.37) KIT
SCHEMBL21361243 0.85 MCHR1 (0.31) GRIN1GRIN2B
SCHEMBL24120317 0.82 CHRM4 (0.35) ACACB
SCHEMBL24120456 0.82 ACACB (0.35) P2RX7ACACBGRIN1GRIN2B
SCHEMBL22859575 0.81 CYP2D6 (0.37) P2RX7ACACBGRIN1GRIN2B
SCHEMBL24120144 0.81 SCN9A (0.32) ACACB
SCHEMBL21361217 0.80 CNR1 (0.38) KIT

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 P2RX7 3111/4885ACACB 734/4885GRIN1 1781/4885

“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.