SCHEMBL22729453

SCHEMBL22729453

CCCCO[C@H]1CC[C@H](NC(=O)c2cnc3c(C)cn(-c4ccccc4OC)c(=O)n23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35

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
SCHEMBL29839293 1.00 MAPK14 (0.39) MAPK14HPGDHTTNPSR1CNR2
SCHEMBL22729454 1.00 MAPK14 (0.39) MAPK14HPGDHTTNPSR1CNR2
SCHEMBL22755013 0.91 CD38 (0.34) CNR2TTKCNR1KDM4E
SCHEMBL22729416 0.83 CNR2 (0.37) HTTCNR2CNR1KDM4E
SCHEMBL22729415 0.83 CNR2 (0.37) HTTCNR2CNR1KDM4E
SCHEMBL22729533 0.76 MAPT (0.42) NPSR1L3MBTL1TSHRKDM4ETP53
SCHEMBL22729864 0.75 LMNA (0.41) MAPK14L3MBTL1ALDH1A1TSHRTP53
SCHEMBL22729543 0.72 BRD4 (0.44) NPSR1SMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL29839402 0.72 BRD4 (0.44) NPSR1SMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL22729840 0.71 CACNB4 (0.43) NPSR1CNR1ALDH1A1

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 MAPK14 1506/4885HPGD 1589/4885HTT 43/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPK14 1556/4885HPGD 1502/4885HTT 44/4885

“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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