SCHEMBL5220154

SCHEMBL5220154

CCOC(=O)c1cc2cc(OC(=O)c3ccccc3)c(Cl)nc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
NOD2 Q9HC29 3/20 0.39
NOD1 Q9Y239 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
F10 P00742 1/20 0.36
MDM2 Q00987 2/20 0.36
NR1H2 P55055 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 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
SCHEMBL5217796 0.90 KMT2A (0.40) KMT2ANOD2NOD1MEN1GAA
SCHEMBL5221628 0.85 POLB (0.35) KMT2ANOD2NOD1MEN1GAA
SCHEMBL5217021 0.82 GRM5 (0.46) KMT2ANOD2NOD1MEN1GAA
SCHEMBL5220266 0.82 NOD2 (0.37) KMT2ANOD2NOD1MEN1GAA
SCHEMBL5220157 0.81 NOD2 (0.36) KMT2ANOD2NOD1MEN1GAA
SCHEMBL2874673 0.76 SRD5A1 (0.41) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL5222402 0.75 NOD2 (0.35) KMT2ANOD2NOD1MEN1SMN1; SMN2
SCHEMBL5761257 0.74 NOD2 (0.40) KMT2ANOD2NOD1MEN1GAA
SCHEMBL4598165 0.73 NOD2 (0.44) KMT2ANOD2NOD1MEN1CRHBP
SCHEMBL5219482 0.73 NOD2 (0.39) KMT2ANOD2NOD1MEN1CRHBP

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

“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.