SCHEMBL22729459

SCHEMBL22729459

Cc1cccc(C23CCN(C(=O)c4cn(C)c5c(C)cn(C)c(=O)c45)CC2C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD11B1 P28845 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
SCHEMBL29839306 1.00 MGLL (0.41) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22729795 0.91 MGLL (0.41) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22729492 0.91 MGLL (0.40) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL29839364 0.91 MGLL (0.40) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22729763 0.91 ALDH1A1 (0.40) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22729834 0.91 ALDH1A1 (0.39) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL29839320 0.84 MGLL (0.50) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22729414 0.84 MGLL (0.50) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22729755 0.83 MGLL (0.39) MGLLALDH1A1HSD17B10HPGDKDM4E
SCHEMBL29839357 0.83 MGLL (0.39) MGLLALDH1A1HSD17B10HPGDKDM4E

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 92/4885ALDH1A1 2626/4885HSD17B10 1790/4885

“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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