SCHEMBL5218645

SCHEMBL5218645

COc1nc2c(cc1C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
GPR119 Q8TDV5 5/20 0.38
PIK3CA P42336 4/20 0.37
EHMT2 Q96KQ7 1/20 0.36
PDE4B Q07343 2/20 0.35
USP30 Q70CQ3 2/20 0.35
SSTR4 P31391 1/20 0.34
TLR9 Q9NR96 1/20 0.34
PIK3R1 P27986 1/20 0.34
SPR P35270 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL5226099 0.89 GPR119 (0.40) PIK3CDGPR119PIK3CAUSP30PIK3R1
SCHEMBL5219024 0.89 USP30 (0.37) PIK3CDGPR119PIK3CAEHMT2PDE4B
SCHEMBL5218998 0.89 GPR119 (0.37) GPR119PIK3CAEHMT2PDE4BUSP30
SCHEMBL5219682 0.88 GPR119 (0.39) GPR119PIK3CAEHMT2USP30SSTR4
SCHEMBL5216941 0.86 GPR119 (0.38) GPR119PIK3CAUSP30SSTR4PIK3R1
SCHEMBL5223395 0.85 PDE4B (0.39) GPR119PIK3CAEHMT2PDE4BTLR9
SCHEMBL5219588 0.84 GPR119 (0.41) PIK3CDGPR119PIK3CAUSP30SSTR4
SCHEMBL5219779 0.84 GPR119 (0.35) GPR119PIK3CAEHMT2PDE4BUSP30
SCHEMBL5222995 0.84 GPR119 (0.35) GPR119PIK3CAEHMT2PDE4BUSP30
SCHEMBL5219783 0.84 GPR119 (0.35) GPR119PIK3CAEHMT2PDE4BUSP30

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 3 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-20050026925-A1 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. 2005-02-03 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 (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 PIK3CD 2686/4885GPR119 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.