SCHEMBL5219482

SCHEMBL5219482

CCOC(=O)c1cc2ccc(Br)nc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
ADORA3 P0DMS8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.34
ATM Q13315 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL5761257 0.87 NOD2 (0.40) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL1316576 0.83 NOD2 (0.38) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL5223527 0.83 NOD2 (0.36) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL4598165 0.81 NOD2 (0.44) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL5222402 0.81 NOD2 (0.35) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL31095788 0.80 NOD2 (0.45) NOD2NOD1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5220266 0.79 NOD2 (0.37) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL5217796 0.78 KMT2A (0.40) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL5220157 0.78 NOD2 (0.36) NOD2NOD1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL33376850 0.78 NOD2 (0.38) NOD2NOD1ADORA3SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098337-B2 1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene and 1,2,3,4-tetrahydro-2,4a,5-triaza-fluorene derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US claimed
US-20030207888-A1 Piperazine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-11-06 US claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
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-1290847-C Aza-aryl piperazines HOFFMANN LA ROCHE (CH) 2006-12-20 CN disclosed
US-7098337-B2 1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene and 1,2,3,4-tetrahydro-2,4a,5-triaza-fluorene derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 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
EP-1472255-B1 AZA-ARYLPIPERAZINES HOFFMANN LA ROCHE (CH) 2006-03-01 EP disclosed
CN-1625558-A Aza-arylpiperazines HOFFMANN LA ROCHE (CH) 2005-06-08 CN 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
EP-1472255-A1 AZA-ARYLPIPERAZINES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-03 EP disclosed
US-20030207888-A1 Piperazine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-11-06 US disclosed
WO-2003064423-A1 AZA-ARYLPIPERAZINES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-07 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 (3 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 NOD2 3122/4885NOD1 3488/4885ADORA3 235/4885
US-20030207888-A1 Piperazine derivatives GPR119, CPT1B, CYP2E1 NOD2 1825/4885NOD1 281/4885ADORA3 1039/4885
US-20050026925-A1 5HT2c receptor agonists HTR2C, HTR2A, HTR5A NOD2 2274/4885NOD1 2471/4885ADORA3 113/4885

“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.