SCHEMBL5223527

SCHEMBL5223527

CCOC(=O)c1cc2cc(O)c(Br)nc2n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.36
NOD1 Q9Y239 2/20 0.36
GLA P06280 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ATM Q13315 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ESR1 P03372 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32

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
SCHEMBL5222402 0.87 NOD2 (0.35) NOD2NOD1GLAADORA3ATM
SCHEMBL5220157 0.86 NOD2 (0.36) NOD2NOD1NR1H2NR1H3ADORA3
SCHEMBL5219482 0.83 NOD2 (0.39) NOD2NOD1GLAADORA3ATM
SCHEMBL5217796 0.81 KMT2A (0.40) NOD2NOD1NR1H2NR1H3ADORA3
SCHEMBL5761257 0.81 NOD2 (0.40) NOD2NOD1ADORA3ATMALDH1A1
SCHEMBL5220266 0.81 NOD2 (0.37) NOD2NOD1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL2875438 0.81 NOD2 (0.37) NOD2NOD1NR1H2NR1H3ADORA3
SCHEMBL5220970 0.79 NOD2 (0.40) NOD2NOD1ADORA3ATMALDH1A1
SCHEMBL5221628 0.78 POLB (0.35) NOD2NOD1ADORA3ATMALDH1A1
SCHEMBL5223580 0.77 HPGD (0.38) NOD2NOD1NR1H2ADORA3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100400538-C 5HT for the treatment of diabetes and obesity2cReceptor agonists HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
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
CN-1812989-A 5ht2c receptor agonists for the treatment of diabetes and obesity HOFFMANN LA ROCHE (CH) 2006-08-02 CN 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 NOD2 2274/4885NOD1 2471/4885GLA 4738/4885

“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.