SCHEMBL23116388

SCHEMBL23116388

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccc(F)cc4)C3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.41
▸ HSD11B1 P28845 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GFER P55789 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
SCHEMBL22729801 0.93 MGLL (0.47) MGLLHSD11B1ALDH1A1HSD17B10KDM4E
SCHEMBL23116391 0.90 MGLL (0.41) MGLLDRD2ALDH1A1HSD17B10KDM4E
SCHEMBL22729739 0.90 MGLL (0.41) MGLLDRD2MAPTDRD3KCNH2
SCHEMBL23116409 0.89 MGLL (0.39) MGLLDRD2ALDH1A1HSD17B10KDM4E
SCHEMBL22729707 0.89 MGLL (0.40) MGLLDRD2ALDH1A1HSD17B10KDM4E
SCHEMBL22729853 0.88 MGLL (0.38) MGLLDRD2ALDH1A1HSD17B10KDM4E
SCHEMBL22729586 0.87 DRD2 (0.37) MGLLDRD2MAPTDRD3KCNH2
SCHEMBL22729578 0.86 MGLL (0.39) MGLL
SCHEMBL22729747 0.86 MGLL (0.39) MGLL
SCHEMBL22729482 0.86 MGLL (0.39) MGLL

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-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

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 92/4885HSD11B1 2441/4885DRD2 2736/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MGLL 91/4885HSD11B1 2394/4885DRD2 2788/4885

“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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