SCHEMBL29734566

SCHEMBL29734566

CC(C)(C)OC(=O)N1CCC(=C(c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.54
▸ NR1H2 P55055 9/20 0.48
▸ NR1H3 Q13133 7/20 0.48
▸ TGFBR1 P36897 1/20 0.44
▸ STS P08842 1/20 0.43

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
SCHEMBL22491548 1.00 GPR119 (0.54) GPR119NR1H2NR1H3TGFBR1STS
SCHEMBL23211871 0.92 GPR119 (0.51) GPR119NR1H2NR1H3STS
SCHEMBL30567986 0.92 GPR119 (0.51) GPR119NR1H2NR1H3STS
SCHEMBL22491507 0.90 GPR119 (0.53) GPR119
SCHEMBL30149843 0.88 GPR119 (0.49) GPR119NR1H2NR1H3
SCHEMBL30568010 0.88 GPR119 (0.49) GPR119NR1H2NR1H3
SCHEMBL23212048 0.88 GPR119 (0.49) GPR119NR1H2NR1H3
SCHEMBL24621774 0.86 KDM4E (0.53) GPR119NR1H2
SCHEMBL22491504 0.85 SETD7 (0.47) —
SCHEMBL1473494 0.81 KDM4E (0.46) GPR119STS

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 2 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

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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY GPR119 3037/4885NR1H2 1894/4885NR1H3 2131/4885

“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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