SCHEMBL22729652

SCHEMBL22729652

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4cccc(OC(F)(F)F)c4)C3)cn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ OPRL1 P41146 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TRPC5 Q9UL62 2/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL29839347 1.00 MGLL (0.39) MGLLDRD2DRD3KCNH2ATAD2
SCHEMBL22729853 0.91 MGLL (0.38) MGLLDRD2DRD3KCNH2ATAD2
SCHEMBL22729791 0.91 GRIN2B (0.39) MGLLDRD2DRD3KCNH2
SCHEMBL22729616 0.89 MGLL (0.44) MGLLDRD2DRD3KCNH2RAF1
SCHEMBL29839356 0.89 MGLL (0.44) MGLLDRD2DRD3KCNH2RAF1
SCHEMBL23116409 0.88 MGLL (0.39) MGLLDRD2DRD3KCNH2TP53
SCHEMBL29839364 0.88 MGLL (0.40) MGLLTP53MAPT
SCHEMBL22729492 0.88 MGLL (0.40) MGLLTP53MAPT
SCHEMBL22755289 0.88 MGLL (0.37) MGLLDRD2DRD3KCNH2ATAD2
SCHEMBL22729525 0.87 MGLL (0.36) MGLLPDE2ASLC6A9HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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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