SCHEMBL22729616

SCHEMBL22729616

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.44
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GRIN2B Q13224 4/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL29839356 1.00 MGLL (0.44) MGLLTP53MAPTDRD2DRD3
SCHEMBL22729739 0.90 MGLL (0.41) MGLLTP53MAPTDRD2DRD3
SCHEMBL29839347 0.89 MGLL (0.39) MGLLTP53MAPTDRD2DRD3
SCHEMBL22729652 0.89 MGLL (0.39) MGLLTP53MAPTDRD2DRD3
SCHEMBL23116409 0.89 MGLL (0.39) MGLLTP53MAPTDRD2DRD3
SCHEMBL22729492 0.89 MGLL (0.40) MGLLTP53MAPTSMN1; SMN2GRIN2B
SCHEMBL29839364 0.89 MGLL (0.40) MGLLTP53MAPTSMN1; SMN2GRIN2B
SCHEMBL22755217 0.88 MGLL (0.43) MGLLTP53MAPTDRD2DRD3
SCHEMBL22729799 0.87 MGLL (0.34) MGLLTP53MAPTSMN1; SMN2
SCHEMBL23116381 0.87 MGLL (0.39) MGLLTP53MAPTDRD2DRD3

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 92/4885TP53 3839/4885MAPT 356/4885

“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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