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Sugi Predict / Compounds / SCHEMBL1622050

SCHEMBL1622050

SCHEMBL1622050

CC(C)(C)OC(=O)N1CCc2nc(C(F)(F)c3ccccc3)[nH]c(=O)c2CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 5/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ RORC P51449 3/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ MTHFD2 P13995 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ HPGDS O60760 1/20 0.37

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
SCHEMBL1622066 0.91 SPR (0.46) SPRPARP1TNKS2PARP2CKS1B
SCHEMBL14043886 0.90 SPR (0.43) SPRPARP1TNKS2PARP2RORC
SCHEMBL31516387 0.81 MTHFD2 (0.57) SPRPARP1TNKS2PARP2CKS1B
SCHEMBL1622628 0.80 HTR2C (0.56) SPRPARP1TNKS2PARP2CKS1B
SCHEMBL1622336 0.78 SPR (0.44) SPRPARP1TNKS2PARP2CKS1B
SCHEMBL1621031 0.77 ADRB2 (0.57) PARP1TNKS2PARP2RORCCKS1B
SCHEMBL1622911 0.77 OPRD1 (0.44) SPRPARP1TNKS2PARP2CKS1B
SCHEMBL1623132 0.76 CKS1B (0.37) PARP1TNKS2PARP2RORCCKS1B
SCHEMBL1623169 0.76 SPR (0.44) SPRPARP1TNKS2PARP2ACHE
SCHEMBL13851590 0.75 TNKS2 (0.45) SPRPARP1TNKS2PARP2MTHFD2

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
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

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 SPR 1228/4885PARP1 2311/4885TNKS2 2108/4885

“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.