SCHEMBL22729674

SCHEMBL22729674

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccc(OC(F)(F)F)cc4)C3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ PDE2A O00408 6/20 0.34
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ CA2 P00918 3/20 0.33
▸ SPR P35270 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ THRB P10828 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
SCHEMBL22729742 0.87 MGLL (0.40) MGLLDRD2SPR
SCHEMBL22755236 0.87 MGLL (0.38) MGLLDRD2DRD3KCNH2PDE2A
SCHEMBL22729853 0.81 MGLL (0.38) MGLLDRD2DRD3KCNH2CTSD
SCHEMBL22729604 0.78 NTRK1 (0.43) MGLLKCNH2SPRMMP2EPHX2
SCHEMBL22729652 0.72 MGLL (0.39) MGLLDRD2DRD3KCNH2PDE2A
SCHEMBL29839347 0.72 MGLL (0.39) MGLLDRD2DRD3KCNH2PDE2A
SCHEMBL21767827 0.71 CASR (0.50) —
SCHEMBL22729707 0.71 MGLL (0.40) MGLLDRD2DRD3KCNH2
SCHEMBL22729848 0.70 PRKAA2 (0.44) SPRMMP2EPHX2
SCHEMBL22729739 0.70 MGLL (0.41) MGLLDRD2DRD3KCNH2SLC6A9

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 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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