SCHEMBL26089385

SCHEMBL26089385

CC1CCc2c1c(O)c(C(=O)Nc1ccccn1)c(=O)n2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.59
▸ RAB9A P51151 9/20 0.59
▸ MAPT P10636 6/20 0.59
▸ LMNA P02545 4/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ TP53 P04637 3/20 0.59
▸ USP2 O75604 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL26419423 1.00 NPC1 (0.59) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26419421 1.00 NPC1 (0.59) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26419141 0.87 RAB9A (0.54) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26088179 0.87 RAB9A (0.54) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26419131 0.87 RAB9A (0.54) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL30345381 0.84 AHR (0.45) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26086563 0.84 AHR (0.45) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26419462 0.84 AHR (0.45) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL26419458 0.84 AHR (0.45) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL30345402 0.83 MAPT (0.47) NPC1RAB9AMAPTLMNAKDM4E

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 NPC1 1273/4885RAB9A 3565/4885MAPT 3658/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC NPC1 1273/4885RAB9A 3565/4885MAPT 3658/4885

“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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