SCHEMBL26089343

SCHEMBL26089343

CCC1CCc2c1cc(C(=O)Nc1ncc(F)cn1)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 9/20 0.53
▸ PTGDR2 Q9Y5Y4 4/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTR1F P30939 1/20 0.31

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
SCHEMBL26419367 1.00 AHR (0.53) AHRPTGDR2LMNAMAPTNLRP3
SCHEMBL26419372 1.00 AHR (0.53) AHRPTGDR2LMNAMAPTNLRP3
SCHEMBL26089047 0.86 AHR (0.70) AHRPTGDR2LMNAMAPTNLRP3
SCHEMBL26086751 0.86 AHR (0.70) AHRPTGDR2LMNAMAPTNLRP3
SCHEMBL26087025 0.86 AHR (0.70) AHRPTGDR2LMNAMAPTNLRP3
SCHEMBL26419139 0.84 AHR (0.54) AHRLMNAMAPTNLRP3HTR1A
SCHEMBL26419127 0.84 AHR (0.54) AHRLMNAMAPTNLRP3HTR1A
SCHEMBL26086929 0.84 AHR (0.54) AHRLMNAMAPTNLRP3HTR1A
SCHEMBL27266394 0.81 AHR (0.34) AHRPTGDR2
SCHEMBL27266390 0.81 AHR (0.34) AHRPTGDR2

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 2 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-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 1/4885PTGDR2 524/4885LMNA 4176/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885PTGDR2 524/4885LMNA 4176/4885

“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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