SCHEMBL21361283

SCHEMBL21361283

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 1/20 0.39
FASN P49327 9/20 0.37
BACE1 P56817 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
ACACA Q13085 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35

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
SCHEMBL22908414 0.94 CYP1A2 (0.41) CYP1A2TSHRMEN1CYP2C9KMT2A
SCHEMBL21361307 0.93 CYP1A2 (0.38) CYP1A2TSHRMEN1CYP2C9KMT2A
SCHEMBL24324810 0.93 ACACA (0.35) CYP1A2TSHRMEN1CYP2C9KMT2A
SCHEMBL21361291 0.91 FASN (0.37) FASNIRAK4ACACA
SCHEMBL24120330 0.91 PDK1 (0.36) CYP1A2TSHRCYP2D6FASNIRAK4
SCHEMBL21361287 0.90 IRAK4 (0.37) CYP2C9FASNIRAK4ACACAPIK3CA
SCHEMBL21361223 0.89 JAK2 (0.37) FASNIRAK4PIK3CAMTOR
SCHEMBL21361286 0.89 IRAK4 (0.36) CYP2C9FASNIRAK4ACACAPIK3CA
SCHEMBL21361292 0.89 TSHR (0.40) CYP1A2TSHRMEN1CYP2C9KMT2A
SCHEMBL24324819 0.89 FASN (0.35) FASNACACA

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 CYP1A2 65/4885TSHR 1526/4885MEN1 4035/4885

“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.