Sugi Predict

Sugi Predict / Compounds / SCHEMBL1621595

SCHEMBL1621595

SCHEMBL1621595

CC(C)(C)OC(=O)N1CCc2nc(C(C)(C)c3ccccc3)nc(N3CCCC3)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ KIT P10721 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ GBA1 P04062 5/20 0.41
▸ MTOR P42345 2/20 0.40
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL1623450 0.91 MTOR (0.49) KITGPR119MTORRAF1BRAF
SCHEMBL1622416 0.83 ADRB2 (0.43) CKS1BSKP1SKP2KITGPR119
SCHEMBL1621294 0.80 RORC (0.38) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL1623136 0.78 MAPT (0.52) CKS1BSKP1SKP2GPR119GBA1
SCHEMBL1622629 0.76 HTR2C (0.48) GBA1
SCHEMBL1622066 0.76 SPR (0.46) CKS1BSKP1SKP2KITGPR119
SCHEMBL1622444 0.74 CNR1 (0.42) KITGBA1MTORACHE
SCHEMBL1621031 0.73 ADRB2 (0.57) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL1621129 0.72 MTOR (0.48) GPR119MTORRAF1BRAFOPRD1
SCHEMBL12719891 0.72 MTOR (0.48) GPR119MTORRAF1BRAFPDE10A

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 CKS1B 1899/4885SKP1 3098/4885SKP2 2207/4885

“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.