Sugi Predict

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SCHEMBL1623376

SCHEMBL1623376

CC(C)(C)OC(=O)N1CCc2[nH]c(=S)[nH]c(=O)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ THRB P10828 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL29090470 0.81 ALDH1A1 (0.42) ALDH1A1THRBL3MBTL1GAAKDM4E
SCHEMBL2075898 0.81 KDM4E (0.45) THRBKDM4EHPGDUSP2SMN1; SMN2
SCHEMBL2078286 0.78 USP2 (0.39) THRBKDM4EHPGDUSP2SMN1; SMN2
SCHEMBL31138807 0.77 ADORA1 (0.45) ALDH1A1THRBKDM4EUSP2SMN1; SMN2
SCHEMBL2081957 0.75 KDM4E (0.46) THRBKDM4EUSP2SMN1; SMN2ADORA1
SCHEMBL29689663 0.74 ADORA1 (0.47) THRBKDM4EUSP2SMN1; SMN2MAPK1
SCHEMBL8436771 0.73 USP2 (0.55) ALDH1A1THRBKDM4EHPGDUSP2
SCHEMBL6474214 0.72 LMNA (0.60) KDM4EMAPTKMT2A
SCHEMBL2078683 0.72 LMNA (0.62) ALDH1A1KDM4EUSP2SMN1; SMN2ADORA1
SCHEMBL31028 0.71 USP2 (0.56) ALDH1A1THRBL3MBTL1KDM4EHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 — — EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 — — WO disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 — — 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A ALDH1A1 1262/4885THRB 174/4885L3MBTL1 4826/4885

“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.