SCHEMBL23116409

SCHEMBL23116409

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4cccc(F)c4)C3)cn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.39
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HCRTR2 O43614 3/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CHRM4 P08173 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
SCHEMBL29839364 0.91 MGLL (0.40) MGLLALDH1A1MAPTHSD17B10NPSR1
SCHEMBL22729492 0.91 MGLL (0.40) MGLLALDH1A1MAPTHSD17B10NPSR1
SCHEMBL29839276 0.89 MGLL (0.39) MGLLDRD2DRD3KCNH2ALDH1A1
SCHEMBL23116381 0.89 MGLL (0.39) MGLLDRD2DRD3KCNH2ALDH1A1
SCHEMBL23116388 0.89 MGLL (0.41) MGLLDRD2DRD3KCNH2ALDH1A1
SCHEMBL22729616 0.89 MGLL (0.44) MGLLDRD2DRD3KCNH2MAPT
SCHEMBL29839356 0.89 MGLL (0.44) MGLLDRD2DRD3KCNH2MAPT
SCHEMBL22729791 0.89 GRIN2B (0.39) MGLLDRD2DRD3KCNH2ALDH1A1
SCHEMBL22729652 0.88 MGLL (0.39) MGLLDRD2DRD3KCNH2MAPT
SCHEMBL29839347 0.88 MGLL (0.39) MGLLDRD2DRD3KCNH2MAPT

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 92/4885DRD2 2736/4885DRD3 3033/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MGLL 91/4885DRD2 2788/4885DRD3 3033/4885

“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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