SCHEMBL30409940

SCHEMBL30409940

CC(C)(C)OC(=O)N1CC2(CCC(Nc3cnc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.45
▸ IDH2 P48735 1/20 0.45
▸ SYK P43405 1/20 0.42
▸ HCRTR1 O43613 10/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38

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
SCHEMBL30409514 1.00 IDH1 (0.45) IDH1IDH2SYKHCRTR1CCNK
SCHEMBL30700819 0.85 SYK (0.50) IDH1IDH2SYKHCRTR1CCNK
SCHEMBL31308805 0.85 SYK (0.50) IDH1IDH2SYKHCRTR1CCNK
SCHEMBL23292323 0.83 CCNK (0.55) IDH1IDH2SYKCCNKCDK12
SCHEMBL28545982 0.83 CCNK (0.55) IDH1IDH2SYKCCNKCDK12
SCHEMBL22895357 0.83 CCNK (0.55) IDH1IDH2SYKCCNKCDK12
SCHEMBL31308764 0.81 GPR119 (0.50) GPR119
SCHEMBL30700787 0.81 GPR119 (0.50) GPR119
SCHEMBL25260355 0.80 GPR119 (0.41) IDH1IDH2SYKGPR119
SCHEMBL30409580 0.80 GPR119 (0.39) IDH1IDH2HCRTR1GPR119HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — 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 (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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 IDH1 292/4885IDH2 530/4885SYK 3682/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 IDH1 180/4885IDH2 371/4885SYK 4540/4885

“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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