SCHEMBL22729586

SCHEMBL22729586

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccc(C(F)(F)F)c(F)c4)C3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ MGLL Q99685 5/20 0.35
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PDE2A O00408 2/20 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
SCHEMBL22729757 0.90 GRIN2B (0.36) MGLL
SCHEMBL29839330 0.90 GRIN2B (0.36) MGLL
SCHEMBL22729525 0.89 MGLL (0.36) MGLLHCRTR1HCRTR2SLC6A9PDE2A
SCHEMBL22729739 0.88 MGLL (0.41) DRD2DRD3KCNH2MGLLSLC6A9
SCHEMBL22754985 0.88 DRD2 (0.36) DRD2DRD3KCNH2MGLLHCRTR1
SCHEMBL23116388 0.87 MGLL (0.41) DRD2DRD3KCNH2MGLLMAPT
SCHEMBL22729616 0.86 MGLL (0.44) DRD2DRD3KCNH2MGLLTP53
SCHEMBL29839356 0.86 MGLL (0.44) DRD2DRD3KCNH2MGLLTP53
SCHEMBL22729801 0.86 MGLL (0.47) KCNH2MGLLMAPT
SCHEMBL23116409 0.85 MGLL (0.39) DRD2DRD3KCNH2MGLLHCRTR1

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 DRD2 2736/4885DRD3 3033/4885KCNH2 2434/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC DRD2 2788/4885DRD3 3033/4885KCNH2 2533/4885

“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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