SCHEMBL5222402

SCHEMBL5222402

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.35
NOD1 Q9Y239 2/20 0.35
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.33
BRD4 O60885 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
IDO1 P14902 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
UBE2N P61088 1/20 0.31

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
SCHEMBL5221628 0.87 POLB (0.35) NOD2NOD1HPGDATMADORA3
SCHEMBL5223527 0.87 NOD2 (0.36) NOD2NOD1ATMGLAADORA3
SCHEMBL5217796 0.86 KMT2A (0.40) NOD2NOD1ATMADORA3ALDH1A1
SCHEMBL5219482 0.81 NOD2 (0.39) NOD2NOD1ATMGLAADORA3
SCHEMBL5223580 0.80 HPGD (0.38) NOD2NOD1HPGDATMBRD4
SCHEMBL5220970 0.80 NOD2 (0.40) NOD2NOD1HPGDATMADORA3
SCHEMBL5220266 0.79 NOD2 (0.37) NOD2NOD1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL2875438 0.79 NOD2 (0.37) NOD2NOD1HPGDATMADORA3
SCHEMBL5220157 0.78 NOD2 (0.36) NOD2NOD1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL5222040 0.78 BRD4 (0.37) BRD4ADORA3ADORA2AADORA1

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 2471/4885HPGD 1891/4885

“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.