SCHEMBL22729740

SCHEMBL22729740

COc1ccccc1C12CCN(C(=O)c3cn(C)c4c(C)cn(C)c(=O)c34)CC1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ RIN1 Q13671 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ APP P05067 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ TP53 P04637 2/20 0.34

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
SCHEMBL29839319 1.00 MGLL (0.41) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29839348 0.91 KDM4E (0.35) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729439 0.91 KDM4E (0.35) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729414 0.90 MGLL (0.50) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29839320 0.90 MGLL (0.50) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22755266 0.87 MGLL (0.41) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729763 0.86 ALDH1A1 (0.40) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729834 0.84 ALDH1A1 (0.39) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729725 0.84 APP (0.37) MGLLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729581 0.82 HCRTR1 (0.36) MGLLKDM4EALDH1A1HSD17B10HPGD

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 92/4885KDM4E 1315/4885ALDH1A1 2626/4885

“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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