SCHEMBL22910857

SCHEMBL22910857

COc1cc(C(=O)N2CC3[C@H]4CN(C(=O)c5ccc6[nH]nnc6c5)C[C@H]4C3(O)C2)cc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ TTK P33981 9/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33

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
SCHEMBL22910872 0.92 MGLL (0.31) ROCK2MGLLTTKPDK2
SCHEMBL22911144 0.92 MGLL (0.37) MGLLKMT2APDK2
SCHEMBL22911021 0.91 PDK2 (0.36) ROCK2TTKPDK2
SCHEMBL16759723 0.90 ROCK2 (0.42) ROCK2MGLLTTKMEN1KMT2A
SCHEMBL22910859 0.90 ROCK2 (0.42) ROCK2MGLLTTKMEN1KMT2A
SCHEMBL22910868 0.89 ATXN2 (0.37) ROCK2MGLL
SCHEMBL22911155 0.88 HCRTR2 (0.43) ROCK2MEN1KMT2AL3MBTL1PDK2
SCHEMBL22910860 0.88 PDK2 (0.33) ROCK2MGLLTTKPDK2
SCHEMBL17310911 0.86 TLR9 (0.42) ROCK2MGLL
SCHEMBL17310907 0.86 TLR9 (0.42) ROCK2MGLL

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 ROCK2 249/4885MGLL 3367/4885TTK 4514/4885

“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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