SCHEMBL22729763

SCHEMBL22729763

Cc1cn(C)c(=O)c2c(C(=O)N3CCC4(c5ccccc5)CC4C3)cn(C)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ HPGD P15428 6/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ GAA P10253 4/20 0.40
▸ MGLL Q99685 8/20 0.39
▸ MAPT P10636 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.34
▸ F11 P03951 1/20 0.32

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
SCHEMBL22729459 0.91 MGLL (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL29839306 0.91 MGLL (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22729414 0.90 MGLL (0.50) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL29839320 0.90 MGLL (0.50) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22729795 0.89 MGLL (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22729834 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22755139 0.86 MGLL (0.39) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22729740 0.86 MGLL (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL29839319 0.86 MGLL (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22729801 0.83 MGLL (0.47) ALDH1A1HSD17B10HPGDKDM4EGAA

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 ALDH1A1 2626/4885HSD17B10 1790/4885HPGD 1589/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885HSD17B10 1691/4885HPGD 1502/4885

“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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