SCHEMBL20043922

SCHEMBL20043922

CN1CC[C@H](c2cccc(OC(F)(F)F)c2)[C@@H](C(=O)Nc2cccc(F)c2F)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MGLL Q99685 2/20 0.37
▸ CFD P00746 4/20 0.37
▸ SLC5A1 P13866 5/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ FPR2 P25090 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
SCHEMBL20043921 0.95 ROCK2 (0.39) ROCK2MGLLCFDSLC5A1NOTUM
SCHEMBL18815173 0.94 ROCK2 (0.40) ROCK2CFDSLC5A1CHRM3DRD4
SCHEMBL20043924 0.91 ROCK2 (0.43) ROCK2MGLLCFDSLC5A1NOTUM
SCHEMBL20044107 0.91 TP53 (0.40) TP53CHRM3
SCHEMBL20043920 0.88 KMT2A (0.42) ROCK2MGLLCFDDRD4
SCHEMBL20043923 0.88 HSD17B10 (0.39) ROCK2MGLLCFDCHRM3NOTUM
SCHEMBL20044386 0.86 TP53 (0.40) ROCK2TP53FPR1FPR2
SCHEMBL27251577 0.85 TP53 (0.45) TP53CHRM3
SCHEMBL20044026 0.84 TP53 (0.41) TP53FPR1FPR2
SCHEMBL23911985 0.84 ROCK2 (0.40) ROCK2MGLLCFDSLC5A1NOTUM

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 ROCK2 383/4885TP53 1193/4885MGLL 3023/4885
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 ROCK2 383/4885TP53 1193/4885MGLL 3023/4885
US-10654804-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 ROCK2 383/4885TP53 1193/4885MGLL 3023/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 ROCK2 381/4885TP53 1230/4885MGLL 3010/4885
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 ROCK2 383/4885TP53 1193/4885MGLL 3023/4885
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 ROCK2 383/4885TP53 1193/4885MGLL 3023/4885
US-11180453-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 ROCK2 383/4885TP53 1193/4885MGLL 3023/4885

“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.

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