SCHEMBL25253335

SCHEMBL25253335

O=C1N[C@H](CCC(=O)N2CC(NCc3ccc(C(F)(F)F)cc3)C2)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.44
▸ KCNH2 Q12809 2/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ PHGDH O43175 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL25294538 0.87 POLB (0.41) TEAD1KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL28986570 0.86 KCNH2 (0.40) TEAD1KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL25298980 0.73 TEAD1 (0.58) TEAD1KCNH2BCHEACHEBACE1
SCHEMBL25254799 0.73 MGLL (0.46) KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL25297074 0.73 MGLL (0.46) KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL25290096 0.73 MGLL (0.46) KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL25261087 0.72 ADAMTS5 (0.39) KCNH2CACNA1CSCN5AADAMTS5EPHX2
SCHEMBL25291784 0.72 TGFBR1 (0.44) ADAMTS5EPHX2HDAC3HDAC4HDAC1
SCHEMBL25263750 0.71 TACR1 (0.33) ADAMTS5
SCHEMBL30395277 0.69 CNR1 (0.34) KCNH2CACNA1CSCN5A

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 TEAD1 3855/4885KCNH2 792/4885CACNA1C 1547/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY TEAD1 3855/4885KCNH2 792/4885CACNA1C 1547/4885

“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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