SCHEMBL21361293

SCHEMBL21361293

Cc1cc(-c2ccc(C#N)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccccn3)CC2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 6/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
CFTR P13569 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
KDM1A O60341 2/20 0.37
ACACA Q13085 1/20 0.36
FASN P49327 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SCD5 Q86SK9 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
SCHEMBL24120423 0.92 CYP11B1 (0.37) CYP3A4CYP1A2MAPK1CFTRL3MBTL1
SCHEMBL21361295 0.90 GPR6 (0.37) ALDH1A1CYP2D6CYP2C9TSHRHIF1A
SCHEMBL21361301 0.89 GRM5 (0.45) CYP2D6CYP3A4ACACAFASN
SCHEMBL21361283 0.86 CYP1A2 (0.41) CYP2D6CYP2C9TSHRHIF1ACYP1A2
SCHEMBL24120372 0.86 CYP11B1 (0.36) CFTRCYP11B1CYP11B2CCR8KCNH2
SCHEMBL24324810 0.85 ACACA (0.35) CYP2D6CYP2C9TSHRCYP1A2ACACA
SCHEMBL21361291 0.85 FASN (0.37) KCNH2KDM1AACACAFASN
SCHEMBL21361287 0.84 IRAK4 (0.37) CYP2C9CYP3A4ACACAFASNEGLN1
SCHEMBL21361286 0.83 IRAK4 (0.36) CYP2C9CYP3A4ACACAFASNPIK3CA
SCHEMBL21361223 0.83 JAK2 (0.37) FASNPIK3CAMTOR

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 ALDH1A1 26/4885CYP2D6 157/4885CYP2C9 245/4885

“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.