SCHEMBL22729853

SCHEMBL22729853

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccc(OC(F)(F)F)cc4)C3)cn(C)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CA2 P00918 3/20 0.34
▸ ATAD2 Q6PL18 1/20 0.33
▸ EPHX2 P34913 3/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22729652 0.91 MGLL (0.39) MGLLDRD2DRD3KCNH2ATAD2
SCHEMBL29839347 0.91 MGLL (0.39) MGLLDRD2DRD3KCNH2ATAD2
SCHEMBL22729707 0.90 MGLL (0.40) MGLLDRD2DRD3KCNH2KDM4E
SCHEMBL22729739 0.89 MGLL (0.41) MGLLDRD2DRD3KCNH2SLC6A9
SCHEMBL22729801 0.89 MGLL (0.47) MGLLKCNH2KDM4EALOX15MAPK1
SCHEMBL23116388 0.88 MGLL (0.41) MGLLDRD2DRD3KCNH2KDM4E
SCHEMBL22729525 0.88 MGLL (0.36) MGLLCA2EPHX2SLC6A9
SCHEMBL23116391 0.86 MGLL (0.41) MGLLDRD2KDM4EALOX15MAPK1
SCHEMBL22729586 0.84 DRD2 (0.37) MGLLDRD2DRD3KCNH2SLC6A9
SCHEMBL22729581 0.84 HCRTR1 (0.36) MGLLATAD2SLC6A9KDM4EALOX15

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 MGLL 92/4885DRD2 2736/4885DRD3 3033/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MGLL 91/4885DRD2 2788/4885DRD3 3033/4885

“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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