SCHEMBL21996099

SCHEMBL21996099

O=CC1C(c2ccc(F)c(C(F)(F)F)c2)C1(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
CHRNB2 P17787 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KIF11 P52732 1/20 0.36
AR P10275 11/20 0.35
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KDM1A O60341 1/20 0.33
GRM4 Q14833 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL30138582 1.00 ADRA2A (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL23961571 1.00 ADRA2A (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL30799673 1.00 ADRA2A (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18143634 0.80 CYP2D6 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18143633 0.80 CYP2D6 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18143632 0.80 CYP2D6 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25870309 0.78 SLC9A1 (0.47) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL21021644 0.77 ADRA2A (0.39) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL20901183 0.77 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18146734 0.77 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485260-A Processes related to the formation of aryl cyclopropyl carboxylic acids 科迪华农业科技有限责任公司 2022-12-16 CN claimed
CN-117603014-A Meta-diamide compounds for controlling invertebrate pests FMC公司 2024-02-27 CN disclosed
US-20230220427-A1 PROCESSES RELATED TO FORMATION OF ARYLCYCLOPROPYL CARBOXYLIC ACIDS CORTEVA AGRISCIENCE LLC (US) 2023-07-13 US disclosed
EP-4183766-A1 INTERMEDIATES FOR THE PREPARATION OF META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-05-24 EP disclosed
EP-3887354-B1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORP (US) 2023-01-04 EP disclosed
CN-115485260-A Processes related to the formation of aryl cyclopropyl carboxylic acids 科迪华农业科技有限责任公司 2022-12-16 CN disclosed
US-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-12-30 US disclosed
EP-3887354-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2021-10-06 EP disclosed
CN-113454065-A Metadiamide compounds for controlling invertebrate pests FMC公司 2021-09-28 CN disclosed
WO-2020112390-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-06-04 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 (2 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-20230220427-A1 PROCESSES RELATED TO FORMATION OF ARYLCYCLOPROPYL CARBOXYLIC ACIDS DDT, PCCA, DDC ADRA2A 1529/4885CHRNB2 2741/4885ADRA2C 1029/4885
US-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS DDT, RDX, ACHE ADRA2A 484/4885CHRNB2 1688/4885ADRA2C 1486/4885

“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.