SCHEMBL29907382

SCHEMBL29907382

O=C(Nc1ccc(OCC2CC2)cc1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.58
SCN8A Q9UQD0 3/20 0.46
SCN10A Q9Y5Y9 3/20 0.46
AXL P30530 1/20 0.42
MET P08581 8/20 0.42
RIPK3 Q9Y572 3/20 0.42
RIPK2 O43353 2/20 0.42
RIPK1 Q13546 2/20 0.42
AURKA O14965 1/20 0.42
GPR6 P46095 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39

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
SCHEMBL29907584 0.87 UGCG (0.67) UGCGSCN8ASCN10AAXLMET
SCHEMBL29907618 0.86 UGCG (0.62) UGCGAXLGPR6MRGPRX1
SCHEMBL29907648 0.83 UGCG (0.67) UGCGAXLMETRIPK3RIPK2
SCHEMBL24464251 0.83 UGCG (0.60) UGCGAXLMETRIPK3RIPK2
SCHEMBL29907411 0.83 UGCG (0.60) UGCGAXLMETRIPK3RIPK2
SCHEMBL29907685 0.83 UGCG (0.69) UGCGAXLMETRIPK3MRGPRX1
SCHEMBL29907613 0.83 UGCG (0.83) UGCGAXLMETRIPK3RIPK2
SCHEMBL29907452 0.83 UGCG (0.51) UGCGAXLMETRIPK3RIPK2
SCHEMBL24464215 0.82 UGCG (0.55) UGCGAXLMETRIPK3RIPK2
SCHEMBL24464284 0.82 UGCG (0.60) UGCGAXLMETRIPK3MRGPRX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 US 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885SCN8A 1938/4885SCN10A 1533/4885

“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.