SCHEMBL21361225

SCHEMBL21361225

CC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(F)cn3)cc1C)C(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 2/20 0.36
ROCK2 O75116 4/20 0.36
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K4 O95819 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 2/20 0.34
USP2 O75604 2/20 0.34
HIF1A Q16665 1/20 0.34
GRM5 P41594 2/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL24120417 0.90 HDAC3 (0.39) ABCG2ROCK2MAP4K4GRM5FLT3
SCHEMBL21361227 0.88 ALDH1A1 (0.36) ALDH1A1CYP2D6HSD17B10HPGDMEN1
SCHEMBL21357467 0.88 SPR (0.37) ABCG2ALDH1A1CYP2D6ROCK2HSD17B10
SCHEMBL21361302 0.87 MGLL (0.35) ALDH1A1CYP2D6ROCK2HSD17B10HPGD
SCHEMBL21361283 0.86 CYP1A2 (0.41) CYP2D6MEN1KMT2ATSHRCYP2C9
SCHEMBL21361289 0.86 HDAC2 (0.42) ABCG2ALDH1A1CYP2D6ROCK2HSD17B10
SCHEMBL22908415 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24120340 0.83 HDAC3 (0.36) ROCK2GRM5FLT3SYKAURKB
SCHEMBL22941882 0.83 KDM1A (0.35)
SCHEMBL24120132 0.82 ABL1 (0.36) ALDH1A1FLT3SYKAURKB

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 ABCG2 804/4885ALDH1A1 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.