SCHEMBL29487571

SCHEMBL29487571

COc1ccc(-c2ccc(COc3ccc4c(c3)CCC(CCN(C)C)C4)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
CYP26A1 O43174 1/20 0.52
MCHR1 Q99705 2/20 0.48
CYP19A1 P11511 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
SIGMAR1 Q99720 1/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40

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
SCHEMBL1269195 1.00 BACE1 (0.56) BACE1CYP26A1MCHR1CYP19A1ITGB3
Hydrochloric Acid SCHEMBL4622508 0.99 BACE1 (0.56) BACE1CYP26A1MCHR1CYP19A1ITGB3
SCHEMBL361022 0.92 BACE1 (0.56) BACE1CYP26A1MCHR1CYP19A1ITGB3
SCHEMBL1268167 0.92 BACE1 (0.56) BACE1CYP26A1MCHR1CYP19A1ITGB3
SCHEMBL29487567 0.92 BACE1 (0.56) BACE1CYP26A1MCHR1CYP19A1ITGB3
SCHEMBL1269557 0.92 BACE1 (0.67) BACE1CYP26A1MCHR1ITGB3ITGA2B
SCHEMBL361018 0.92 BACE1 (0.67) BACE1CYP26A1MCHR1ITGB3ITGA2B
SCHEMBL1269207 0.91 BACE1 (0.52) BACE1CYP26A1MCHR1CYP19A1ITGB3
Hydrochloric Acid SCHEMBL4622854 0.91 BACE1 (0.56) BACE1CYP26A1MCHR1CYP19A1ITGB3
Water SCHEMBL4978875 0.91 BACE1 (0.66) BACE1CYP26A1MCHR1ITGB3ITGA2B

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122071471-A Heterocyclic compounds 武田药品工业株式会社 2026-05-22 CN disclosed
CN-122010945-A Heterocyclic compounds 武田药品工业株式会社 2026-05-12 CN disclosed
CN-122010946-A Heterocyclic compounds 武田药品工业株式会社 2026-05-12 CN disclosed
US-12534471-B2 Pyrrolo[1, 2-c]imidazole derivatives as orexin type 2 receptor agonists and methods of use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-27 US disclosed
EP-4680611-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2026-01-21 EP disclosed
WO-2025229495-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-11-06 WO disclosed
EP-4626546-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-10-08 EP disclosed
EP-4612145-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2025-09-10 EP disclosed
EP-4508027-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2025-02-19 EP disclosed
US-20240317765-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-26 US disclosed
WO-2024095133-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-05-10 WO disclosed
WO-2023199091-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-19 WO disclosed
CN-116171276-A 3- ((1H-pyrazol-4-yl) methyl) -6'- (phenyl) -2H- [1,2' -bipyridin ] -2-one derivatives and related compounds as GRP139 antagonists in methods of treating E.G. depression 武田药品工业株式会社 2023-05-26 CN disclosed
EP-4058430-A1 HETEROCYCLIC NMDA ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2022-09-21 EP disclosed
CN-115003670-A Heterocyclic compounds 武田药品工业株式会社 2022-09-02 CN disclosed
CN-111051295-B Heterocyclic compounds and their use 武田药品工业株式会社 2022-09-02 CN disclosed
CN-114980892-A TAK-925 for the treatment of narcolepsy 武田药品工业株式会社 2022-08-30 CN disclosed
EP-4034257-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-08-03 EP disclosed
CN-114555083-A Use of orexin 2 receptor agonists for the treatment of excessive sleepiness 武田药品工业株式会社 2022-05-27 CN disclosed
CN-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN 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-20240317765-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NPY2R BACE1 350/4885CYP26A1 894/4885MCHR1 11/4885
US-12534471-B2 Pyrrolo[1, 2-c]imidazole derivatives as orexin type 2 receptor agonists and methods of use thereof HCRTR2, HCRTR1, NPY1R BACE1 210/4885CYP26A1 2020/4885MCHR1 66/4885

“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.