SCHEMBL26419127

SCHEMBL26419127

CC(C)[C@H]1CCc2c1cc(C(=O)Nc1ncc(F)cn1)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 9/20 0.54
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR1F P30939 1/20 0.35
▸ NLRP3 Q96P20 2/20 0.34
▸ MET P08581 1/20 0.34
▸ RPS6KA6 Q9UK32 3/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 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
SCHEMBL26086929 1.00 AHR (0.54) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26419139 1.00 AHR (0.54) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26087025 0.87 AHR (0.70) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26089047 0.87 AHR (0.70) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26086751 0.87 AHR (0.70) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26419372 0.84 AHR (0.53) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26419367 0.84 AHR (0.53) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL26089343 0.84 AHR (0.53) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL27266398 0.80 AHR (0.35) AHRHTR1AHTR1DHTR1BHTR1F
SCHEMBL27266401 0.80 AHR (0.35) AHRHTR1AHTR1DHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — US disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — 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 (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-12037322-B2 AHR agonists AHR, ARNT, RORC AHR 1/4885HTR1A 135/4885HTR1D 274/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885HTR1A 135/4885HTR1D 274/4885

“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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