SCHEMBL22227863

SCHEMBL22227863

Cn1c(COc2cccc(C(F)(F)F)c2)nnc1-c1ccc(NC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ CETP P11597 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ GRK2 P25098 2/20 0.45
▸ P2RY1 P47900 2/20 0.44
▸ DGAT1 O75907 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL20832631 0.90 MAOA (0.44) PPARGMAOAMAOBFFAR1CETP
SCHEMBL20828479 0.86 F10 (0.48) L3MBTL1SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL20828419 0.85 L3MBTL1 (0.42) PPARGMAOAMAOBFFAR1CETP
SCHEMBL20828478 0.84 FFAR1 (0.45) MAOAMAOBFFAR1CETPROCK2
SCHEMBL30602686 0.83 L3MBTL1 (0.50) PPARGMAOAMAOBL3MBTL1ROCK2
SCHEMBL20832811 0.83 L3MBTL1 (0.50) PPARGMAOAMAOBL3MBTL1ROCK2
SCHEMBL20832626 0.83 L3MBTL1 (0.50) PPARGMAOAMAOBL3MBTL1ROCK2
SCHEMBL30602662 0.83 L3MBTL1 (0.50) PPARGMAOAMAOBL3MBTL1ROCK2
SCHEMBL20828481 0.83 FFAR1 (0.45) MAOAMAOBFFAR1CETPROCK2
SCHEMBL20828382 0.82 RAB9A (0.39) PPARGMAOAMAOBFFAR1CETP

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-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 — — US disclosed
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 — — US disclosed
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 — — 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-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B PPARG 582/4885MAOA 1038/4885MAOB 575/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B PPARG 582/4885MAOA 1038/4885MAOB 575/4885

“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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