SCHEMBL30345381

SCHEMBL30345381

CC1CCc2c1c(O)c(C(=O)Nc1ccc(F)cn1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GRM5 P41594 6/20 0.39
▸ HTR1F P30939 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL26086563 1.00 AHR (0.45) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26419458 1.00 AHR (0.45) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26419462 1.00 AHR (0.45) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26088821 0.87 NPC1 (0.43) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26419450 0.87 AHR (0.43) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26419445 0.87 AHR (0.43) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26088176 0.87 AHR (0.43) AHRNPC1ALDH1A1LMNAMAPT
SCHEMBL26419423 0.84 NPC1 (0.59) NPC1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL26089385 0.84 NPC1 (0.59) NPC1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL26419421 0.84 NPC1 (0.59) NPC1ALDH1A1LMNAMAPTSMN1; SMN2

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 1/4885NPC1 1273/4885ALDH1A1 724/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885NPC1 1273/4885ALDH1A1 724/4885

“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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