SCHEMBL21361244

SCHEMBL21361244

CON1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(C#N)cn3)cc1C)C(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.37
KDM1A O60341 2/20 0.35
GRM5 P41594 2/20 0.33
CHEK1 O14757 1/20 0.33
KCNJ1 P48048 2/20 0.33
P2RX7 Q99572 1/20 0.33
MAPK7 Q13164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21361291 0.86 FASN (0.37) KDM1A
SCHEMBL21361283 0.86 CYP1A2 (0.41)
SCHEMBL21361313 0.85 KDM4E (0.36) KITKDM1AGRM5KCNJ1KDM4E
SCHEMBL21361296 0.85 MAPK1 (0.44) ALDH1A1HPGD
SCHEMBL24324810 0.84 ACACA (0.35) GRM5KCNJ1P2RX7
SCHEMBL21361287 0.84 IRAK4 (0.37) KCNJ1P2RX7
SCHEMBL21361307 0.83 CYP1A2 (0.38) KITKCNJ1MAPK7
SCHEMBL21361286 0.83 IRAK4 (0.36) KCNJ1
SCHEMBL21361223 0.83 JAK2 (0.37) P2RX7
SCHEMBL24324819 0.82 FASN (0.35) KCNJ1P2RX7

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 KIT 4702/4885KDM1A 857/4885GRM5 1832/4885

“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.