SCHEMBL26088020

SCHEMBL26088020

COC(=O)c1cc2c(n(C)c1=O)CC(C)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.62
▸ GABRG2 P18507 7/20 0.43
▸ GABRB3 P28472 7/20 0.43
▸ GABRA3 P34903 7/20 0.43
▸ GABRA1 P14867 5/20 0.43
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GABRA2 P47869 5/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL26829405 0.78 ALDH1A1 (0.41) AHRALDH1A1KDM4EHPGDMAPT
SCHEMBL13990928 0.78 CNR2 (0.47) AHRGABRG2GABRB3GABRA3GABRA1
SCHEMBL26086546 0.77 AHR (1.00) AHRALDH1A1HPGDRAB9ABRD4
SCHEMBL26419383 0.77 AHR (1.00) AHRALDH1A1HPGDRAB9ABRD4
SCHEMBL26419384 0.77 AHR (1.00) AHRALDH1A1HPGDRAB9ABRD4
SCHEMBL26086876 0.76 AHR (0.69) AHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL26088363 0.74 AHR (0.71) AHRALDH1A1MAPTNPC1RAB9A
SCHEMBL26088751 0.73 AHR (0.55) AHRGABRG2GABRB3GABRA3GABRA1
SCHEMBL26088059 0.73 GABRG2 (0.40) AHRGABRG2GABRB3GABRA3GABRA1
SCHEMBL26088246 0.72 GABRG2 (0.41) AHRGABRG2GABRB3GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4402126-A1 AHR AGONISTS Eli Lilly and Company (US) 2024-07-24 — — EP disclosed
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
CN-118215654-A AHR agonists 伊莱利利公司 2024-06-18 — — CN disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — US disclosed
WO-2023039278-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2023-03-16 — — WO 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 1/4885GABRG2 925/4885GABRB3 847/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885GABRG2 925/4885GABRB3 847/4885

“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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