SCHEMBL22773284

SCHEMBL22773284

Cn1ccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ ESR2 Q92731 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL24621774 0.86 KDM4E (0.53) SETD7KDM4EPKMMEN1KMT2A
SCHEMBL22491409 0.85 SETD7 (0.50) SETD7FNTAFNTBOPRD1SLC18A3
SCHEMBL1473097 0.80 MEN1 (0.49) SETD7KDM4EPKMMEN1KMT2A
SCHEMBL1473494 0.79 KDM4E (0.46) SETD7KDM4EPKMMEN1KMT2A
SCHEMBL22491548 0.78 GPR119 (0.54) GPR119NR1H2
SCHEMBL29734566 0.78 GPR119 (0.54) GPR119NR1H2
SCHEMBL1472918 0.78 GPR119 (0.48) SETD7KDM4EPKMGPR119FNTA
SCHEMBL22773311 0.77 MEN1 (0.42) KDM4EPKMMEN1KMT2AGPR119
SCHEMBL29734635 0.77 MEN1 (0.42) KDM4EPKMMEN1KMT2AGPR119
SCHEMBL22491507 0.76 GPR119 (0.53) GPR119

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
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY SETD7 1281/4885KDM4E 1597/4885PKM 1247/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY SETD7 1281/4885KDM4E 1597/4885PKM 1247/4885

“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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