SCHEMBL25252762

SCHEMBL25252762

O=C1N[C@H](CCC(=O)N2CC(c3ccc(N4CCC(C(F)(F)F)C4)cc3)C2)CO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 4/20 0.36
▸ MGLL Q99685 4/20 0.33
▸ ADAMTS4 O75173 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ L3MBTL3 Q96JM7 1/20 0.31

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
SCHEMBL25298198 0.93 ADAMTS5 (0.37) ADAMTS5ADAMTS4
SCHEMBL25298298 0.88 MGLL (0.34) ADAMTS5MGLL
SCHEMBL29496981 0.87 KDM4E (0.35) MGLLKDM4EMAPT
SCHEMBL29497044 0.87 USP30 (0.35) ADAMTS5MGLL
SCHEMBL25258954 0.87 USP30 (0.35) ADAMTS5MGLL
SCHEMBL25290127 0.87 KDM4E (0.35) MGLLKDM4EMAPT
SCHEMBL25249765 0.86 TIPARP (0.35) MGLLKDM4E
SCHEMBL25255614 0.86 LCAT (0.35) ADAMTS5MGLL
SCHEMBL25263750 0.86 TACR1 (0.33) ADAMTS5MGLL
SCHEMBL25251366 0.82 ADAMTS5 (0.36) ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN 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 (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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY ADAMTS5 4557/4885MGLL 996/4885ADAMTS4 4639/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY ADAMTS5 4557/4885MGLL 996/4885ADAMTS4 4639/4885

“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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