SCHEMBL22729643

SCHEMBL22729643

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.51
▸ TRPV1 Q8NER1 2/20 0.44
▸ SCN9A Q15858 3/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PKM P14618 1/20 0.36

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
SCHEMBL29839326 1.00 UGCG (0.51) UGCGTRPV1SCN9ASCN5ADGAT1
SCHEMBL29839316 0.93 UGCG (0.47) UGCGTRPV1SCN9ASCN5AMAPT
SCHEMBL22729450 0.93 UGCG (0.47) UGCGTRPV1SCN9ASCN5AMAPT
SCHEMBL22729804 0.89 UGCG (0.48) UGCGSCN9AMAPT
SCHEMBL29839303 0.89 UGCG (0.48) UGCGTRPV1SCN9ADGAT1MAPT
SCHEMBL22729530 0.89 UGCG (0.48) UGCGTRPV1SCN9ADGAT1MAPT
SCHEMBL29839298 0.89 UGCG (0.48) UGCGSCN9AMAPT
SCHEMBL22729397 0.89 UGCG (0.67) UGCGSCN9AMAPTKDM4E
SCHEMBL29839299 0.89 UGCG (0.67) UGCGSCN9AMAPTKDM4E
SCHEMBL22729611 0.85 UGCG (0.49) UGCGDGAT1MAPTUSP2PKM

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 5 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
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 UGCG 8/4885TRPV1 1610/4885SCN9A 2915/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC UGCG 8/4885TRPV1 1682/4885SCN9A 3024/4885

“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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