SCHEMBL29497044

SCHEMBL29497044

O=C1N[C@H](CCC(=O)N2CC(c3ccc(N4CCC(C(F)(F)F)C4)c(F)c3)C2)CO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.35
▸ MGLL Q99685 4/20 0.34
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ ADAM17 P78536 1/20 0.31
▸ ADAMTS5 Q9UNA0 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL25258954 1.00 USP30 (0.35) USP30MGLLPDE3BPDE3AADAM17
SCHEMBL25298274 0.93 USP30 (0.33) USP30MGLL
SCHEMBL29497045 0.93 USP30 (0.33) USP30MGLL
SCHEMBL25252762 0.87 ADAMTS5 (0.36) MGLLADAMTS5
SCHEMBL25290127 0.83 KDM4E (0.35) MGLL
SCHEMBL29496981 0.83 KDM4E (0.35) MGLL
SCHEMBL25249765 0.83 TIPARP (0.35) MGLL
SCHEMBL25298198 0.81 ADAMTS5 (0.37) ADAMTS5
SCHEMBL25263750 0.80 TACR1 (0.33) MGLLADAMTS5SMN1; SMN2
SCHEMBL25298298 0.79 MGLL (0.34) USP30MGLLADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY USP30 3722/4885MGLL 996/4885PDE3B 869/4885

“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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