SCHEMBL5222040

SCHEMBL5222040

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
ABCB1 P08183 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
AAK1 Q2M2I8 7/20 0.34
SYK P43405 1/20 0.33
SERPINE1 P05121 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 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
SCHEMBL5222033 1.00 BRD4 (0.37) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5218655 0.89 BRD4 (0.37) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5218644 0.89 BRD4 (0.37) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5224835 0.84 AAK1 (0.38) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5224830 0.84 AAK1 (0.38) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5223751 0.83 BRD4 (0.37) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5223742 0.83 BRD4 (0.37) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5222990 0.83 ADORA3 (0.38) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5217784 0.82 ABCB1 (0.35) BRD4ABCB1ADORA3ADORA2AAAK1
SCHEMBL5217792 0.82 ABCB1 (0.35) BRD4ABCB1ADORA3ADORA2AAAK1

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 BRD4 1755/4885ABCB1 751/4885ADORA3 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.