SCHEMBL5219131

SCHEMBL5219131

Cc1nc2c(cc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.38
GPR119 Q8TDV5 3/20 0.38
PIK3CA P42336 5/20 0.37
LMNA P02545 1/20 0.35
FPR2 P25090 1/20 0.34
KCNH2 Q12809 1/20 0.34
SSTR4 P31391 1/20 0.34
PIK3R1 P27986 2/20 0.34
SPR P35270 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NAMPT P43490 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 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
SCHEMBL5219682 0.89 GPR119 (0.39) USP30GPR119PIK3CASSTR4PIK3R1
SCHEMBL1983772 0.88 USP30 (0.40) USP30GPR119PIK3CALMNAFPR2
SCHEMBL5221226 0.88 GPR119 (0.39) USP30GPR119PIK3CASSTR4PIK3R1
SCHEMBL5219024 0.88 USP30 (0.37) USP30GPR119PIK3CAFPR2KCNH2
SCHEMBL5219194 0.87 GPR119 (0.38) USP30GPR119PIK3CASSTR4PIK3R1
SCHEMBL4498610 0.87 USP30 (0.39) USP30GPR119PIK3CAFPR2KCNH2
SCHEMBL5219196 0.87 GPR119 (0.38) USP30GPR119PIK3CAFPR2KCNH2
SCHEMBL5220251 0.87 USP30 (0.39) USP30GPR119PIK3CALMNAFPR2
SCHEMBL1988182 0.87 GPR119 (0.38) USP30GPR119PIK3CAFPR2KCNH2
SCHEMBL5222463 0.86 GPR119 (0.38) USP30GPR119PIK3CASSTR4PIK3R1

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 USP30 3134/4885GPR119 17/4885PIK3CA 3003/4885

“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.