SCHEMBL22729739

SCHEMBL22729739

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.41
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DRD3 P35462 11/20 0.35
▸ KCNH2 Q12809 11/20 0.35
▸ DRD2 P14416 9/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ SLC6A9 P48067 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
SCHEMBL22729801 0.91 MGLL (0.47) MGLLMAPTKCNH2
SCHEMBL23116388 0.90 MGLL (0.41) MGLLMAPTDRD3KCNH2DRD2
SCHEMBL22729616 0.90 MGLL (0.44) MGLLTP53MAPTDRD3KCNH2
SCHEMBL29839356 0.90 MGLL (0.44) MGLLTP53MAPTDRD3KCNH2
SCHEMBL22729853 0.89 MGLL (0.38) MGLLDRD3KCNH2DRD2SLC6A9
SCHEMBL23116391 0.88 MGLL (0.41) MGLLMAPTDRD2
SCHEMBL22729586 0.88 DRD2 (0.37) MGLLTP53MAPTDRD3KCNH2
SCHEMBL22729799 0.87 MGLL (0.34) MGLLTP53MAPTSLC6A9
SCHEMBL22729757 0.86 GRIN2B (0.36) MGLL
SCHEMBL29839330 0.86 GRIN2B (0.36) MGLL

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 92/4885TP53 3839/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MGLL 91/4885TP53 3876/4885MAPT 364/4885

“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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