SCHEMBL20044078

SCHEMBL20044078

CC(C)Oc1cc([C@H]2CN(C)C(=O)[C@@H]2C(=O)Nc2cccc(F)c2F)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.35
TRPA1 O75762 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ALDH1A1 P00352 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 1/20 0.33
BRAF P15056 1/20 0.32
KDR P35968 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
SCHEMBL20043960 0.91 ALDH1A1 (0.36) TACR1KCNH2HTR1DHTR1BALDH1A1
SCHEMBL20044765 0.90 FFAR4 (0.37) FFAR4TP53
SCHEMBL20044761 0.90 TP53 (0.35) ALDH1A1FFAR4TP53MEN1MAPT
SCHEMBL22621490 0.89 NPC1 (0.36) ALDH1A1TP53MEN1MAPTKMT2A
SCHEMBL20044733 0.88 SMN1; SMN2 (0.37) TACR1KCNH2ALDH1A1RXFP1TP53
SCHEMBL20044084 0.88 SMN1; SMN2 (0.37) TACR1KCNH2ALDH1A1RXFP1TP53
SCHEMBL20044762 0.87 TP53 (0.36) TACR1KCNH2TRPA1ALDH1A1TP53
SCHEMBL20044301 0.87 TP53 (0.36) TACR1KCNH2ALDH1A1RXFP1TP53
SCHEMBL20044760 0.86 TP53 (0.36) TACR1KCNH2ALDH1A1RXFP1TP53
SCHEMBL20044061 0.86 TP53 (0.37) ALDH1A1TP53MEN1GAAMAPT

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
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2024-01-25 US disclosed
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2024-01-25 US disclosed
US-11787765-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2023-10-17 US disclosed
US-11787765-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2023-10-17 US disclosed
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2022-04-28 US disclosed
US-11180453-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2021-11-23 US disclosed
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2020-11-05 US disclosed
US-10654804-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2020-05-19 US disclosed
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2018-04-12 US disclosed
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2018-04-12 US 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 (7 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-11787765-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TACR1 707/4885KCNH2 563/4885CNR1 453/4885
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TACR1 707/4885KCNH2 563/4885CNR1 453/4885
US-10654804-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TACR1 707/4885KCNH2 563/4885CNR1 453/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TACR1 737/4885KCNH2 568/4885CNR1 454/4885
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TACR1 707/4885KCNH2 563/4885CNR1 453/4885
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TACR1 707/4885KCNH2 563/4885CNR1 453/4885
US-11180453-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TACR1 707/4885KCNH2 563/4885CNR1 453/4885

“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.