SCHEMBL5223580

SCHEMBL5223580

CCOC(=O)c1cc2cc(OCC)cnc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
ATM Q13315 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL5220970 0.88 NOD2 (0.40) HPGDNOD2NOD1NPC1KDM4E
SCHEMBL2875438 0.87 NOD2 (0.37) HPGDNOD2NOD1NPC1KDM4E
SCHEMBL5217021 0.86 GRM5 (0.46) HPGDNOD2NOD1NPC1KDM4E
SCHEMBL2872264 0.81 HRH3 (0.39)
SCHEMBL6512126 0.81 NOD2 (0.44) HPGDNOD2NOD1KDM4EMAPT
SCHEMBL4598165 0.81 NOD2 (0.44) HPGDNOD2NOD1KDM4EADORA3
SCHEMBL5221628 0.80 POLB (0.35) HPGDNOD2NOD1ADORA3ATM
SCHEMBL5222402 0.80 NOD2 (0.35) HPGDNOD2NOD1ADORA3GABRG2
SCHEMBL5220266 0.78 NOD2 (0.37) NOD2NOD1ADORA3ADORA2ATP53
SCHEMBL2872216 0.78 SRD5A2 (0.43) HPGD

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 HPGD 1891/4885NOD2 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.