SCHEMBL21361226

SCHEMBL21361226

CC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-n3cc(F)cn3)cc1C)C(=O)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 2/20 0.34
TSHR P16473 1/20 0.34
RIPK2 O43353 3/20 0.34
USP2 O75604 4/20 0.33
IDO1 P14902 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 3/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
ROCK2 O75116 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL21361311 0.88 CYP2C9 (0.36) ALDH1A1CYP2D6CYP2C9TSHRRIPK2
SCHEMBL22955947 0.82 RIPK2 (0.37) KAT6ARIPK2IDO1
SCHEMBL21357467 0.81 SPR (0.37) ALDH1A1CYP2D6CYP2C9TSHRUSP2
SCHEMBL21361221 0.79 USP2 (0.40) ALDH1A1CYP2D6CYP2C9TSHRUSP2
SCHEMBL21361289 0.78 HDAC2 (0.42) ALDH1A1CYP2D6CYP2C9USP2MAPK1
SCHEMBL21361302 0.78 MGLL (0.35) ALDH1A1CYP2D6CYP2C9TSHRUSP2
SCHEMBL21361225 0.77 ABCG2 (0.37) ALDH1A1CYP2D6CYP2C9TSHRUSP2
SCHEMBL21361309 0.75 CYP2D6 (0.35) ALDH1A1CYP2D6TSHRMEN1KMT2A
SCHEMBL21361314 0.74 SPR (0.37) ALDH1A1CYP2D6CYP2C9TSHRUSP2
SCHEMBL21274392 0.73 USP2 (0.35) ALDH1A1CYP2D6CYP2C9TSHRUSP2

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 KAT6A 4405/4885ALDH1A1 26/4885CYP2D6 157/4885

“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.