SCHEMBL21361259

SCHEMBL21361259

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccccn3)CC2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.47
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 3/20 0.41
GAA P10253 2/20 0.40
DRD2 P14416 1/20 0.40
RBP4 P02753 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 4/20 0.39
PDE4B Q07343 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
USP2 O75604 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
SCHEMBL21361306 0.93 GAA (0.44) CCR8KCNH2CYP3A4GAARBP4
SCHEMBL24120432 0.92 RBP4 (0.41) CCR8KCNH2GAADRD2RBP4
SCHEMBL22859737 0.90 KCNH2 (0.38) CCR8KCNH2MAPT
SCHEMBL21361268 0.89 CCR8 (0.47) CCR8KCNH2CYP3A4MAPTTHRB
SCHEMBL21361271 0.87 CYP2D6 (0.46) CYP3A4GAACYP2D6TP53ALDH1A1
SCHEMBL24120395 0.84 RBP4 (0.42) CCR8KCNH2GAARBP4L3MBTL1
SCHEMBL21361303 0.84 CYP2D6 (0.41) CYP2D6ALDH1A1USP2
SCHEMBL21361247 0.84 L3MBTL1 (0.42) CCR8KCNH2CYP3A4GAARBP4
SCHEMBL24120312 0.83 KCNH2 (0.40) KCNH2
SCHEMBL21344243 0.83 CCR8 (0.46) CCR8KCNH2CYP3A4GAADRD2

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 CCR8 3176/4885KCNH2 727/4885CYP3A4 259/4885

“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.