SCHEMBL21361296

SCHEMBL21361296

COCC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(C#N)cn3)cc1C)C(=O)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.44
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 4/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 6/20 0.38
TSHR P16473 4/20 0.38
CYP2C9 P11712 3/20 0.38
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 5/20 0.37
USP2 O75604 4/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL24120359 0.92 CYP3A4 (0.39) MAPK1PIK3CAMTORCYP3A4CYP2C19
SCHEMBL21361223 0.90 JAK2 (0.37) PIK3CAMTORIRAK4ENPP2ATXN2
SCHEMBL21361283 0.88 CYP1A2 (0.41) PIK3CAMTORIRAK4CYP2D6TSHR
SCHEMBL24120332 0.87 CYP3A4 (0.37) MAPK1PIK3CAMTORCYP3A4CYP2C19
SCHEMBL24324810 0.86 ACACA (0.35) PIK3CAMTORCYP2D6TSHRCYP2C9
SCHEMBL21361291 0.86 FASN (0.37) IRAK4ENPP2ATXN2
SCHEMBL21361287 0.85 IRAK4 (0.37) PIK3CAMTORCYP3A4IRAK4CYP2C9
SCHEMBL21361244 0.85 KIT (0.37) ALDH1A1HPGD
SCHEMBL21361307 0.85 CYP1A2 (0.38) PIK3CAMTORIRAK4CYP2D6TSHR
SCHEMBL21361286 0.85 IRAK4 (0.36) PIK3CAMTORCYP3A4IRAK4CYP2C9

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 MAPK1 3220/4885PIK3CA 2545/4885MTOR 1510/4885

“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.