SCHEMBL29487557

SCHEMBL29487557

COc1ccc(-c2ccc(COc3ccc4c(c3)CCC(CCN(C)C)C4)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
CYP26A1 O43174 1/20 0.49
CYP19A1 P11511 2/20 0.44
MCHR1 Q99705 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
NAAA Q02083 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1269533 1.00 BACE1 (0.49) BACE1CYP26A1CYP19A1MCHR1ITGB3
Hydrochloric Acid SCHEMBL4622190 0.99 BACE1 (0.49) BACE1CYP26A1CYP19A1MCHR1ITGB3
SCHEMBL29487571 0.90 BACE1 (0.56) BACE1CYP26A1CYP19A1MCHR1ITGB3
SCHEMBL1269195 0.90 BACE1 (0.56) BACE1CYP26A1CYP19A1MCHR1ITGB3
Hydrochloric Acid SCHEMBL4622508 0.89 BACE1 (0.56) BACE1CYP26A1CYP19A1MCHR1ITGB3
SCHEMBL1269207 0.88 BACE1 (0.52) BACE1CYP26A1CYP19A1MCHR1ITGB3
Hydrochloric Acid SCHEMBL4622514 0.87 BACE1 (0.52) BACE1CYP26A1CYP19A1MCHR1ITGB3
SCHEMBL29487567 0.84 BACE1 (0.56) BACE1CYP26A1CYP19A1MCHR1ITGB3
SCHEMBL1269557 0.84 BACE1 (0.67) BACE1CYP26A1MCHR1ITGB3ITGA2B
SCHEMBL1268167 0.84 BACE1 (0.56) BACE1CYP26A1CYP19A1MCHR1ITGB3

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 31 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
US-12630509-B2 Heterocyclic NMDA antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-19 US 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
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
WO-2025229494-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-20230134307-A1 HETEROCYCLIC NMDA ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-04 US disclosed
US-20230002318-A1 HETEROCYCLIC NMDA ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-05 US disclosed
EP-4058430-A1 HETEROCYCLIC NMDA ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2022-09-21 EP disclosed
WO-2022190060-A1 AN OREXIN 2 RECEPTOR AGONIST FOR THE TREATMENT OF AN OREXIN-MEDIATED DISEASE OR DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 WO 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 (3 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-12630509-B2 Heterocyclic NMDA antagonists GRIN1, GRIN3A, GRIN2B BACE1 484/4885CYP26A1 2616/4885CYP19A1 3014/4885
US-20230002318-A1 HETEROCYCLIC NMDA ANTAGONISTS GRIN1, GRIN2B, GRIN2A BACE1 382/4885CYP26A1 3680/4885CYP19A1 3487/4885
US-20230134307-A1 HETEROCYCLIC NMDA ANTAGONISTS GRIN1, GRIN2B, GRIN2A BACE1 382/4885CYP26A1 3680/4885CYP19A1 3487/4885

“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.