SCHEMBL5225629

SCHEMBL5225629

CC(=O)c1nc2c(cc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.39
GPR119 Q8TDV5 3/20 0.37
SCN9A Q15858 2/20 0.35
MAP3K14 Q99558 3/20 0.35
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
RORC P51449 1/20 0.34
PIK3CA P42336 2/20 0.33
IDO1 P14902 1/20 0.33
PIK3R1 P27986 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DPP4 P27487 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL5384336 1.00 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5218793 0.85 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5731233 0.85 USP30 (0.39) USP30GPR119SCN9ASMARCA2SMARCA4
SCHEMBL5218668 0.85 USP30 (0.39) USP30GPR119SCN9ASMARCA2SMARCA4
SCHEMBL5731126 0.85 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5218796 0.85 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5217518 0.85 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5219983 0.85 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5731124 0.85 USP30 (0.39) USP30GPR119SCN9AMAP3K14SMARCA2
SCHEMBL5219682 0.81 GPR119 (0.39) USP30GPR119SMARCA2SMARCA4PBRM1

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
EP-1641796-B1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY HOFFMANN LA ROCHE (CH) 2007-06-06 EP disclosed
US-7208494-B2 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1641796-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-05 EP disclosed
US-20050026925-A1 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. 2005-02-03 US disclosed
WO-2005000849-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO 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-20050026925-A1 5HT2c receptor agonists HTR2C, HTR2A, HTR5A USP30 3134/4885GPR119 17/4885SCN9A 1564/4885

“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.