SCHEMBL25326420

SCHEMBL25326420

CC(C)(C)OC(=O)N1CCC(=C(C#N)c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
S1PR2 O95136 1/20 0.44
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
GPR119 Q8TDV5 7/20 0.42
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
ESR2 Q92731 1/20 0.40
MMP13 P45452 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL16689787 0.89 KMT2A (0.50) MEN1KMT2AGRM5GPR119ESR2
SCHEMBL16681105 0.88 MAPT (0.50) MEN1KMT2AGPR119JAK2JAK1
SCHEMBL5383285 0.88 KMT2A (0.43) MEN1KMT2AGPR119JAK2JAK1
SCHEMBL27166187 0.88 MEN1 (0.57) MEN1KMT2AGRM5GPR119ESR2
SCHEMBL27166159 0.88 JAK2 (0.40) MEN1KMT2AS1PR2GPR119JAK2
SCHEMBL2405534 0.88 KDM4E (0.48) MEN1KMT2AGRM5GRM1GPR119
SCHEMBL27166100 0.87 GPR119 (0.44) MEN1KMT2AGRM5GPR119JAK2
SCHEMBL30055079 0.86 GPR119 (0.53) MEN1KMT2AGRM5GPR119
SCHEMBL27166173 0.84 SMN1; SMN2 (0.46) GPR119ESR2
SCHEMBL27166127 0.83 JAK2 (0.43) MEN1KMT2AGRM5GRM1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof ORGANON R&D FINLAND LTD. (FI) 2026-05-26 US disclosed
EP-4334289-B1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Oy (FI) 2025-06-25 EP disclosed
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-20240254131-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF ORGANON R&D FINLAND LTD. (FI) 2024-08-01 US disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
EP-4334289-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Ltd (FI) 2024-03-13 EP disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
WO-2022234193-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF FORENDO PHARMA LTD (FI) 2022-11-10 WO disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 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 (4 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MEN1 176/4885KMT2A 2713/4885S1PR2 4174/4885
US-20240254131-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF AKR1C3, AKR1C4, AKR1C1 MEN1 3066/4885KMT2A 3679/4885S1PR2 1110/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MEN1 2422/4885KMT2A 1346/4885S1PR2 4406/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 MEN1 3860/4885KMT2A 3376/4885S1PR2 875/4885

“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.