SCHEMBL22729799

SCHEMBL22729799

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4cc(Cl)cc(C(F)(F)F)c4)C3)cn(C)c12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SLC6A9 P48067 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
SCHEMBL22729774 0.91 ALDH1A1 (0.35) MGLLMAPTALDH1A1HPGDTSHR
SCHEMBL22755233 0.88 MGLL (0.33) MGLL
SCHEMBL22729616 0.87 MGLL (0.44) MGLLMAPTTP53SMN1; SMN2
SCHEMBL29839356 0.87 MGLL (0.44) MGLLMAPTTP53SMN1; SMN2
SCHEMBL22729739 0.87 MGLL (0.41) MGLLMAPTTP53SLC6A9
SCHEMBL23116381 0.84 MGLL (0.39) MGLLMAPTTP53ALDH1A1HPGD
SCHEMBL29839276 0.84 MGLL (0.39) MGLLMAPTTP53ALDH1A1HPGD
SCHEMBL22729757 0.84 GRIN2B (0.36) MGLL
SCHEMBL29839330 0.84 GRIN2B (0.36) MGLL
SCHEMBL23116391 0.84 MGLL (0.41) MGLLMAPTALDH1A1HPGDTSHR

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

“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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