SCHEMBL26419325

SCHEMBL26419325

C[C@@H]1CCc2c1cc(C(=O)Nc1ccc(C(F)(F)F)cn1)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 6/20 0.60
▸ GAA P10253 1/20 0.46
▸ F10 P00742 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGES O14684 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ FGFR4 P22455 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ DEGS1 O15121 1/20 0.39
▸ GCK P35557 1/20 0.39

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
SCHEMBL26086682 1.00 AHR (0.60) AHRGAAF10PTGS1PTGES
SCHEMBL26419331 1.00 AHR (0.60) AHRGAAF10PTGS1PTGES
SCHEMBL26419348 0.87 AHR (0.63) AHRHCRTR1
SCHEMBL26086770 0.87 AHR (0.63) AHRHCRTR1
SCHEMBL26088078 0.87 AHR (0.66) AHRF10
SCHEMBL30345457 0.87 AHR (0.66) AHRF10
SCHEMBL26419344 0.87 AHR (0.63) AHRHCRTR1
SCHEMBL26419319 0.87 AHR (0.66) AHRF10
SCHEMBL26419324 0.87 AHR (0.66) AHRF10
SCHEMBL30972573 0.81 GAA (0.43) AHRGAAF10PTGS1PTGES

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 1/4885GAA 3710/4885F10 4797/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885GAA 3710/4885F10 4797/4885

“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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