SCHEMBL5217587

SCHEMBL5217587

COCc1cc2c(nc1C)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PIK3CA P42336 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PDE4B Q07343 1/20 0.33
NAMPT P43490 1/20 0.33
NR1H2 P55055 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
SCHEMBL5220102 0.90 GPR119 (0.39) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5224873 0.89 GPR119 (0.39) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5220730 0.88 HTR2A (0.41) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5221325 0.87 GPR119 (0.38) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5222274 0.86 GPR119 (0.37) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5221107 0.86 GPR119 (0.37) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5221109 0.86 GPR119 (0.37) GPR119HTR2AHTR2CHTR2BPIK3CA
SCHEMBL5219682 0.86 GPR119 (0.39) GPR119PIK3CAKDM4EMAPTTHRB
SCHEMBL5223395 0.85 PDE4B (0.39) GPR119PIK3CAKDM4EALDH1A1HPGD
SCHEMBL5221226 0.85 GPR119 (0.39) GPR119PIK3CAKDM4EMAPTTHRB

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 17/4885HTR2A 2/4885HTR2C 1/4885

“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.