SCHEMBL5217704

SCHEMBL5217704

CCOC(=O)c1cc2cc(OC(=O)c3ccccc3)c[n+]([O-])c2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 5/20 0.39
NOD1 Q9Y239 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NR1H2 P55055 1/20 0.34
CACNA1B Q00975 1/20 0.34
RAB9A P51151 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
SCHEMBL5222407 0.82 NOD2 (0.38) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL5217021 0.81 GRM5 (0.46) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL1423415 0.79 NOD2 (0.42) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL2872248 0.77 SRD5A2 (0.43) HPGDNR1H2
SCHEMBL5217796 0.76 KMT2A (0.40) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL5220154 0.73 KMT2A (0.39) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL24894603 0.72 NOD2 (0.62) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL29827958 0.72 NOD2 (0.62) NOD2NOD1KMT2AMEN1SMN1; SMN2
SCHEMBL3035408 0.69 SRD5A2 (0.54) NOD2NOD1KMT2AMEN1HSP90AA1
SCHEMBL12597047 0.69 NOD2 (0.47) NOD2NOD1KMT2AMEN1NR1H2

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 NOD2 2274/4885NOD1 2471/4885KMT2A 1087/4885

“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.