SCHEMBL22729791

SCHEMBL22729791

COc1cccc(C23CC2CN(C(=O)c2cn(C)c4c(C)cn(C)c(=O)c24)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 9/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34

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
SCHEMBL22729834 0.91 ALDH1A1 (0.39) GRIN2BMGLLSLC6A4SLC6A2SLC6A3
SCHEMBL22729652 0.91 MGLL (0.39) MGLLDRD2DRD3KCNH2
SCHEMBL29839347 0.91 MGLL (0.39) MGLLDRD2DRD3KCNH2
SCHEMBL29839364 0.90 MGLL (0.40) GRIN2BMGLLKDM4EALOX15MAPK1
SCHEMBL22729707 0.90 MGLL (0.40) MGLLSLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL22729492 0.90 MGLL (0.40) GRIN2BMGLLKDM4EALOX15MAPK1
SCHEMBL23116381 0.89 MGLL (0.39) MGLLALOX15MAPK1DRD2DRD3
SCHEMBL23116409 0.89 MGLL (0.39) MGLLKDM4EALOX15MAPK1DRD2
SCHEMBL29839276 0.89 MGLL (0.39) MGLLALOX15MAPK1DRD2DRD3
SCHEMBL22729863 0.87 SLC6A2 (0.37) MGLLSLC6A4SLC6A2SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC GRIN2B 1405/4885MGLL 92/4885SLC6A4 2998/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC GRIN2B 1390/4885MGLL 91/4885SLC6A4 3242/4885

“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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