SCHEMBL22729530

SCHEMBL22729530

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(=O)Nc3ccc(C4CC4)nc3)cnn12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.48
▸ DGAT1 O75907 3/20 0.39
▸ CRACR2A Q9BSW2 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ MRGPRX1 Q96LB2 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL29839303 1.00 UGCG (0.48) UGCGDGAT1CRACR2ATRPV1MALT1
SCHEMBL29839326 0.89 UGCG (0.51) UGCGDGAT1TRPV1SCN9AMAPT
SCHEMBL22729643 0.89 UGCG (0.51) UGCGDGAT1TRPV1SCN9AMAPT
SCHEMBL22729804 0.86 UGCG (0.48) UGCGMALT1SCN9AMAPT
SCHEMBL29839298 0.86 UGCG (0.48) UGCGMALT1SCN9AMAPT
SCHEMBL22729397 0.86 UGCG (0.67) UGCGSCN9AMAPT
SCHEMBL29839299 0.86 UGCG (0.67) UGCGSCN9AMAPT
SCHEMBL22729450 0.85 UGCG (0.47) UGCGTRPV1MALT1SCN9AMAPT
SCHEMBL29839316 0.85 UGCG (0.47) UGCGTRPV1MALT1SCN9AMAPT
SCHEMBL22729611 0.84 UGCG (0.49) UGCGDGAT1MAPT

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 UGCG 8/4885DGAT1 139/4885CRACR2A 4715/4885

“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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