SCHEMBL29487577

SCHEMBL29487577

COc1cc2c(cc1OC)CN(c1c(C)c(C)c3c(c1C)C(c1ccc(C(C)C)cc1)C(C)(C)O3)C2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.31
TLR4 O00206 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1268230 1.00 AKT1 (0.31) AKT1TLR4RAB9AALDH1A1HTT
SCHEMBL2904367 1.00 AKT1 (0.31) AKT1TLR4RAB9AALDH1A1HTT
SCHEMBL1269359 0.90 TLR4 (0.35) TLR4ALDH1A1
SCHEMBL29567882 0.90 TLR4 (0.35) TLR4ALDH1A1
SCHEMBL2905278 0.90 TLR4 (0.35) TLR4ALDH1A1
SCHEMBL6565862 0.90 DPP4 (0.38)
Bromide SCHEMBL2910934 0.89 TLR4 (0.34) TLR4ALDH1A1
SCHEMBL2775525 0.89
Hydrochloric Acid SCHEMBL2788412 0.89 TLR4 (0.34) TLR4ALDH1A1
Hydrochloric Acid SCHEMBL2912744 0.89 TLR4 (0.34) TLR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630509-B2 Heterocyclic NMDA antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-19 US disclosed
EP-4680611-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2026-01-21 EP disclosed
US-20260001843-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2026-01-01 US 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-20240309016-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-19 US disclosed
WO-2024189597-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-19 WO disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO 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 (5 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 AKT1 1011/4885TLR4 794/4885RAB9A 1701/4885
US-20230002318-A1 HETEROCYCLIC NMDA ANTAGONISTS GRIN1, GRIN2B, GRIN2A AKT1 1685/4885TLR4 724/4885RAB9A 3384/4885
US-20260001843-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NPBWR1 AKT1 1848/4885TLR4 1355/4885RAB9A 1209/4885
US-20240309016-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF HCRTR2, HCRTR1, NTSR2 AKT1 3170/4885TLR4 1705/4885RAB9A 3234/4885
US-20230134307-A1 HETEROCYCLIC NMDA ANTAGONISTS GRIN1, GRIN2B, GRIN2A AKT1 1685/4885TLR4 724/4885RAB9A 3384/4885

“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.