SCHEMBL25326740

SCHEMBL25326740

CC(C)(C)OC(=O)N1CC2(CC(C(=O)c3ccc(C(F)(F)F)nc3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
GPR119 Q8TDV5 8/20 0.39
EIF2AK4 Q9P2K8 1/20 0.38
KRAS P01116 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
STS P08842 2/20 0.37
EGLN2 Q96KS0 1/20 0.37
HDAC4 P56524 1/20 0.37
ACACB O00763 1/20 0.36
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36
EHMT2 Q96KQ7 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
SCHEMBL31365790 1.00 P2RX3 (0.40) P2RX3P2RX2GPR119EIF2AK4KRAS
SCHEMBL16652151 0.85 GPR119 (0.41) GPR119STSHDAC4
SCHEMBL25326264 0.84 JAK1 (0.42) P2RX3P2RX2GPR119EIF2AK4KRAS
SCHEMBL25324549 0.84 STS (0.38) P2RX3P2RX2GPR119EIF2AK4KRAS
SCHEMBL16632062 0.84 STS (0.51) GPR119STS
SCHEMBL30721149 0.83 DDB1 (0.43) P2RX3P2RX2GPR119EIF2AK4KRAS
SCHEMBL30409877 0.83 DDB1 (0.43) P2RX3P2RX2GPR119EIF2AK4KRAS
SCHEMBL31365779 0.82 OXTR (0.39) GPR119KRASWNT1GSK3BDYRK1A
SCHEMBL30775993 0.82 OXTR (0.39) GPR119KRASWNT1GSK3BDYRK1A
SCHEMBL30775991 0.82 OXTR (0.39) GPR119KRASWNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568972-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
CN-119654326-A Novel heterocyclic compounds 豪夫迈·罗氏有限公司 2025-03-18 CN disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2024033277-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 P2RX3 227/4885P2RX2 239/4885GPR119 1935/4885

“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.