SCHEMBL5224835

SCHEMBL5224835

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
SYK P43405 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ABCB1 P08183 1/20 0.35
BRD4 O60885 4/20 0.35
SERPINE1 P05121 1/20 0.35
ADORA1 P30542 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC2A1 P11166 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5224830 1.00 AAK1 (0.38) AAK1SYKPCSK9ADORA3ADORA2A
SCHEMBL19268460 0.91 PCSK9 (0.38) AAK1SYKPCSK9BRD4SERPINE1
SCHEMBL5758241 0.89 CCR9 (0.37) AAK1SYKPCSK9ADORA3ADORA2A
SCHEMBL5758245 0.89 CCR9 (0.37) AAK1SYKPCSK9ADORA3ADORA2A
SCHEMBL1987062 0.89 ABCB1 (0.39) AAK1SYKPCSK9ADORA3ADORA2A
SCHEMBL19252913 0.88 PCSK9 (0.38) AAK1SYKPCSK9BRD4SERPINE1
SCHEMBL5762113 0.88 PCSK9 (0.38) AAK1SYKPCSK9BRD4SERPINE1
SCHEMBL30137551 0.88 ADORA3 (0.37) AAK1SYKPCSK9ADORA3ADORA2A
SCHEMBL5759888 0.85 PCSK9 (0.40) SYKPCSK9ADORA3ADORA2AABCB1
SCHEMBL5759892 0.85 PCSK9 (0.40) SYKPCSK9ADORA3ADORA2AABCB1

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 8 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
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
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
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
US-20030207888-A1 Piperazine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-11-06 US 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 (2 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-20030207888-A1 Piperazine derivatives GPR119, CPT1B, CYP2E1 AAK1 1152/4885SYK 2985/4885PCSK9 2536/4885
US-20050026925-A1 5HT2c receptor agonists HTR2C, HTR2A, HTR5A AAK1 3292/4885SYK 2336/4885PCSK9 2509/4885

“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.