SCHEMBL9980757

SCHEMBL9980757

COc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.62
SLC18A3 Q16572 2/20 0.58
TNKS O95271 3/20 0.54
TNKS2 Q9H2K2 3/20 0.54
PARP1 P09874 2/20 0.51
STS P08842 2/20 0.50
KMT2A Q03164 1/20 0.50
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
HPGD P15428 1/20 0.48
MMP13 P45452 1/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
PIK3CD O00329 1/20 0.47

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
SCHEMBL21795781 0.87 KMT2A (0.51) GPR119STSKMT2APTPN2PTPN1
SCHEMBL29480691 0.87 KMT2A (0.51) GPR119STSKMT2APTPN2PTPN1
SCHEMBL9980847 0.86 KMT2A (0.58) GPR119SLC18A3STSKMT2APTPN2
SCHEMBL28049663 0.84 SLC18A3 (0.60) SLC18A3TNKSTNKS2PARP1KMT2A
SCHEMBL18228223 0.84 SLC18A3 (0.60) SLC18A3TNKSTNKS2PARP1KMT2A
SCHEMBL28134988 0.83 SLC18A3 (0.60) GPR119SLC18A3TNKSTNKS2PARP1
SCHEMBL20601412 0.83 GPR119 (0.59) GPR119MMP13PIK3CD
SCHEMBL16632062 0.83 STS (0.51) GPR119STSKMT2APTPN2PTPN1
SCHEMBL4240126 0.82 POLB (0.69) GPR119STSKMT2A
SCHEMBL16970801 0.79 GPR119 (0.50) GPR119SLC18A3TNKSTNKS2MMP13

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137556-B 1, 4-dicarbonyl-piperidinyl derivatives 默克专利股份公司 2021-07-30 CN disclosed
US-10570116-B2 1,4-dicarbonyl-piperidyl derivatives MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
EP-3371166-B1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-28 US disclosed
EP-3371166-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES Merck Patent GmbH (DE) 2018-09-12 EP disclosed
EP-3140295-B1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2018-09-12 EP disclosed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
EP-3027598-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES Merck Patent GmbH (DE) 2016-06-08 EP disclosed
WO-2015169421-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-12 WO disclosed
WO-2015169421-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-12 WO disclosed
WO-2015014442-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 WO disclosed
WO-2015014442-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 WO disclosed
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 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 (4 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-10570116-B2 1,4-dicarbonyl-piperidyl derivatives TNKS, TANK, TBKBP1 GPR119 1909/4885SLC18A3 4802/4885TNKS 1/4885
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 GPR119 192/4885SLC18A3 248/4885TNKS 3999/4885
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES TNKS, TANK, TBKBP1 GPR119 1909/4885SLC18A3 4802/4885TNKS 1/4885
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES TANK, IRAK3, TNKS GPR119 2040/4885SLC18A3 4383/4885TNKS 3/4885

“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.