SCHEMBL20043884

SCHEMBL20043884

COc1cc([C@H]2CN(C)C(=O)[C@@H]2C(=O)Nc2cccc(F)c2F)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
CACNA1S Q13698 3/20 0.37
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 1/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PTK2 Q05397 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TRPV1 Q8NER1 2/20 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
SCHEMBL20044097 0.93 HTR1D (0.39) HTR1DHTR1BCACNA1SALDH1A1TP53
SCHEMBL20043882 0.93 ALDH1A1 (0.39) HTR1DHTR1BCACNA1SALDH1A1TP53
SCHEMBL20044736 0.91 HTR1D (0.39) HTR1DHTR1BCACNA1SALDH1A1TP53
SCHEMBL20044888 0.91 ANXA2 (0.36) HTR1DHTR1BCACNA1SALDH1A1TP53
SCHEMBL20044275 0.90 ALDH1A1 (0.38) HTR1DHTR1BALDH1A1TP53P2RX7
SCHEMBL20044750 0.90 ALDH1A1 (0.41) HTR1DHTR1BALDH1A1TP53P2RX7
SCHEMBL20044407 0.90 TP53 (0.37) ALDH1A1TP53ALOX15TSHR
SCHEMBL20043953 0.90 PDE4B (0.42) ALDH1A1TP53ALOX15TSHR
SCHEMBL20044756 0.88 ALOX15 (0.36) ALDH1A1TP53P2RX7ALOX15TSHR
SCHEMBL20044127 0.88 SLC6A2 (0.42) ALDH1A1TP53ALOX15TSHR

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 HTR1D 1480/4885HTR1B 2600/4885CACNA1S 1358/4885
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 HTR1D 1480/4885HTR1B 2600/4885CACNA1S 1358/4885
US-10654804-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 HTR1D 1480/4885HTR1B 2600/4885CACNA1S 1358/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 HTR1D 1471/4885HTR1B 2571/4885CACNA1S 1377/4885
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 HTR1D 1480/4885HTR1B 2600/4885CACNA1S 1358/4885
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 HTR1D 1480/4885HTR1B 2600/4885CACNA1S 1358/4885
US-11180453-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 HTR1D 1480/4885HTR1B 2600/4885CACNA1S 1358/4885

“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.