SCHEMBL22910872

SCHEMBL22910872

CC(C)Oc1cc(C(=O)N2CC3[C@H]4CN(C(=O)c5ccc6[nH]nnc6c5)C[C@H]4C3(O)C2)cc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.31
▸ TLR9 Q9NR96 4/20 0.31
▸ TLR8 Q9NR97 4/20 0.31
▸ TLR7 Q9NYK1 4/20 0.31
▸ ROCK2 O75116 3/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ TTK P33981 2/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30

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
SCHEMBL22910857 0.92 ROCK2 (0.37) MGLLROCK2PDK2TTK
SCHEMBL22910874 0.91 TLR9 (0.35) MGLLTLR9TLR8TLR7ROCK2
SCHEMBL16759731 0.91 TLR9 (0.35) MGLLTLR9TLR8TLR7ROCK2
SCHEMBL22910574 0.90 MGLL (0.32) MGLLTLR9TLR8TLR7ROCK2
SCHEMBL22911144 0.89 MGLL (0.37) MGLLMAPTPDK2
SCHEMBL22910871 0.88 LRRK2 (0.34) —
SCHEMBL22911021 0.87 PDK2 (0.36) ROCK2PDK2TTK
SCHEMBL22910868 0.87 ATXN2 (0.37) MGLLROCK2
SCHEMBL22911075 0.86 LRRK2 (0.30) —
SCHEMBL22911099 0.84 FASN (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 — — 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 (1 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-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 MGLL 3367/4885TLR9 3544/4885TLR8 3984/4885

“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.

Send feedback