SCHEMBL21361311

SCHEMBL21361311

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.36
ALDH1A1 P00352 6/20 0.35
CYP2C19 P33261 4/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RIPK2 O43353 3/20 0.34
USP2 O75604 6/20 0.33
HSD17B10 Q99714 6/20 0.33
CYP2D6 P10635 5/20 0.33
CYP1A2 P05177 4/20 0.33
HPGD P15428 3/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
JAK3 P52333 1/20 0.33
HIF1A Q16665 2/20 0.33

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
SCHEMBL21361226 0.88 KAT6A (0.35) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21361216 0.85 RIPK2 (0.30) RIPK2
SCHEMBL21361314 0.81 SPR (0.37) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21361221 0.79 USP2 (0.40) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL22859738 0.78 ALDH1A1 (0.41) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21361227 0.77 ALDH1A1 (0.36) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21361304 0.77 ALDH1A1 (0.35) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21357467 0.74 SPR (0.37) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21274392 0.73 USP2 (0.35) CYP2C9ALDH1A1CYP2C19MAPK1TSHR
SCHEMBL21361289 0.72 HDAC2 (0.42) CYP2C9ALDH1A1CYP2C19MAPK1MEN1

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 CYP2C9 245/4885ALDH1A1 26/4885CYP2C19 567/4885

“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.