Sugi Predict

Sugi Predict / Compounds / SCHEMBL696779

SCHEMBL696779

SCHEMBL696779

CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.56
▸ STS P08842 1/20 0.55
▸ GPR119 Q8TDV5 2/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ JAK1 P23458 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ ACHE P22303 2/20 0.50
▸ BCHE P06276 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ DRD4 P21917 1/20 0.49

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
SCHEMBL696778 1.00 USP30 (0.56) USP30STSGPR119JAK2JAK1
SCHEMBL29043109 1.00 USP30 (0.56) USP30STSGPR119JAK2JAK1
SCHEMBL22222650 0.93 USP30 (0.62) USP30STSGPR119JAK2JAK1
SCHEMBL28779687 0.93 USP30 (0.62) USP30STSGPR119JAK2JAK1
SCHEMBL616004 0.93 STS (0.60) STSGPR119JAK2JAK1KDM4E
SCHEMBL28779718 0.92 USP30 (0.58) USP30STSGPR119JAK2JAK1
SCHEMBL28779720 0.92 USP30 (0.58) USP30STSGPR119JAK2JAK1
SCHEMBL9937172 0.90 STS (0.50) USP30STSGPR119JAK2JAK1
SCHEMBL20794854 0.89 GPR119 (0.52) USP30GPR119ACHEBCHEBACE1
SCHEMBL651891 0.88 HTT (0.53) USP30STSGPR119ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114717211-B Imine reductase mutant M5 and application thereof in synthesis of nitrogen heterocycle chiral amine 江苏集萃分子工程研究院有限公司 2023-06-02 — — CN disclosed
CN-116103257-A Reductive amination enzyme mutant and application thereof in synthesis of alkylated pyrrolidine chiral amine 中国科学院天津工业生物技术研究所 2023-05-12 — — CN disclosed
WO-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 — — WO disclosed
WO-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 — — WO disclosed
CN-114717211-A Imine reductase mutant M5 and application thereof in synthesis of azacyclo chiral amine 江苏集萃分子工程研究院有限公司 2022-07-08 — — CN disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 — — US disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 — — US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 — — US disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 — — US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 — — US disclosed
US-20120277216-A1 1,2-DIHYDRO-2-OXOQUINOLINE COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-11-01 — — US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 — — EP disclosed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 — — US disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 — — EP disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 — — WO disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — 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 (6 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 USP30 1516/4885STS 3191/4885GPR119 925/4885
US-20120277216-A1 1,2-DIHYDRO-2-OXOQUINOLINE COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR2C, HTR5A USP30 4593/4885STS 2706/4885GPR119 245/4885
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 USP30 2665/4885STS 4701/4885GPR119 639/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 USP30 1604/4885STS 3389/4885GPR119 923/4885
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 USP30 4059/4885STS 4565/4885GPR119 743/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 USP30 1604/4885STS 3389/4885GPR119 923/4885

“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.