SCHEMBL5221671

SCHEMBL5221671

Cc1nc2c(cc1OCCO)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
PIK3CA P42336 8/20 0.38
HPGD P15428 2/20 0.35
PIK3R1 P27986 3/20 0.35
AKT1 P31749 1/20 0.34
MTOR P42345 1/20 0.34
NR1H2 P55055 2/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA5 P31644 1/20 0.33
PIK3CD O00329 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
SCHEMBL5221139 0.93 GPR119 (0.39) GPR119PIK3CAHPGDPIK3R1SCN9A
SCHEMBL5217508 0.90 GPR119 (0.40) GPR119PIK3CAHPGDPIK3R1KDM4E
SCHEMBL5217513 0.90 GPR119 (0.40) GPR119PIK3CAHPGDPIK3R1KDM4E
SCHEMBL5222010 0.88 GPR119 (0.40) GPR119PIK3CAHPGDNR1H2SCN9A
SCHEMBL5223395 0.87 PDE4B (0.39) GPR119PIK3CAHPGDKDM4EALDH1A1
SCHEMBL5220801 0.85 PIK3CA (0.34) GPR119PIK3CAHPGDPIK3R1AKT1
SCHEMBL5220796 0.85 PIK3CA (0.34) GPR119PIK3CAHPGDPIK3R1AKT1
SCHEMBL5760348 0.85 GPR119 (0.42) GPR119PIK3CAPIK3R1NR1H2GABRA5
SCHEMBL5222905 0.85 P2RX3 (0.40) GPR119PIK3CAPIK3R1
SCHEMBL5220102 0.84 GPR119 (0.39) GPR119PIK3CAPIK3R1NR1H2

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 GPR119 17/4885PIK3CA 3003/4885HPGD 1891/4885

“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.