SCHEMBL5222990

SCHEMBL5222990

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.36
ABCB1 P08183 1/20 0.36
SYK P43405 1/20 0.35
SERPINE1 P05121 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
BRD4 O60885 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.33
PDE4B Q07343 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32

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
SCHEMBL5223742 0.90 BRD4 (0.37) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5223751 0.90 BRD4 (0.37) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL30719998 0.89 POLB (0.38) ADORA3ADORA2AADORA1ABCB1MAPT
SCHEMBL5759892 0.85 PCSK9 (0.40) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5759888 0.85 PCSK9 (0.40) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5217792 0.83 ABCB1 (0.35) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5217784 0.83 ABCB1 (0.35) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5218644 0.83 BRD4 (0.37) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5218655 0.83 BRD4 (0.37) ADORA3ADORA2AADORA1ABCB1SYK
SCHEMBL5222040 0.83 BRD4 (0.37) ADORA3ADORA2AADORA1ABCB1SYK

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 ADORA3 113/4885ADORA2A 98/4885ADORA1 134/4885

“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.