SCHEMBL22729757

SCHEMBL22729757

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.36
▸ CCR2 P41597 2/20 0.35
▸ MGLL Q99685 3/20 0.35
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL29839330 1.00 GRIN2B (0.36) GRIN2BCCR2MGLLP2RX7
SCHEMBL22729586 0.90 DRD2 (0.37) MGLL
SCHEMBL22729578 0.90 MGLL (0.39) MGLL
SCHEMBL29839395 0.90 MGLL (0.39) MGLL
SCHEMBL22729747 0.90 MGLL (0.39) MGLL
SCHEMBL22729482 0.90 MGLL (0.39) MGLL
SCHEMBL22729739 0.86 MGLL (0.41) MGLL
SCHEMBL23116391 0.85 MGLL (0.41) MGLL
SCHEMBL22729616 0.85 MGLL (0.44) GRIN2BCCR2MGLL
SCHEMBL29839356 0.85 MGLL (0.44) GRIN2BCCR2MGLL

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-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 (1 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 GRIN2B 1405/4885CCR2 3145/4885MGLL 92/4885

“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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