SCHEMBL5223395

SCHEMBL5223395

COc1cc2c(nc1C)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.39
PIK3CA P42336 3/20 0.39
EHMT2 Q96KQ7 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
TLR9 Q9NR96 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMPD3 Q9NY59 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35

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 0.89 GPR119 (0.39) PDE4BPIK3CAGPR119CCNT1CDK9
SCHEMBL5222905 0.89 P2RX3 (0.40) PDE4BPIK3CAGPR119
SCHEMBL5217508 0.89 GPR119 (0.40) PIK3CAGPR119KDM4EALDH1A1HPGD
SCHEMBL5217513 0.89 GPR119 (0.40) PIK3CAGPR119KDM4EALDH1A1HPGD
SCHEMBL5219682 0.88 GPR119 (0.39) PIK3CAEHMT2GPR119KDM4E
SCHEMBL5221226 0.87 GPR119 (0.39) PIK3CAGPR119TLR9KDM4E
SCHEMBL5221671 0.87 GPR119 (0.39) PIK3CAGPR119KDM4EALDH1A1HPGD
SCHEMBL5222010 0.86 GPR119 (0.40) PIK3CAGPR119HPGD
SCHEMBL5219131 0.86 USP30 (0.38) PIK3CAGPR119KDM4E
SCHEMBL5219194 0.86 GPR119 (0.38) PIK3CAGPR119MEN1KMT2A

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 PDE4B 801/4885PIK3CA 3003/4885EHMT2 1486/4885

“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.