SCHEMBL9980865

SCHEMBL9980865

COc1ccc(C(=O)C2CCNCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.55
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
NNMT P40261 2/20 0.53
TNKS O95271 5/20 0.45
TNKS2 Q9H2K2 5/20 0.45
PARP1 P09874 4/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PLAT P00750 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGDS O60760 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
Hydrochloric Acid SCHEMBL16432204 0.99 MEN1 (0.56) SLC18A3MEN1CYP2D6KMT2ANNMT
Tert-Butyl Formate SCHEMBL28134989 0.89 SLC18A3 (0.47) SLC18A3MEN1CYP2D6KMT2ANNMT
SCHEMBL9980653 0.81 KMT2A (0.62) SLC18A3MEN1CYP2D6KMT2AHRH3
SCHEMBL22003706 0.81 MEN1 (0.54) SLC18A3MEN1CYP2D6KMT2AHRH3
SCHEMBL29480726 0.81 MEN1 (0.54) SLC18A3MEN1CYP2D6KMT2AHRH3
SCHEMBL28049663 0.80 SLC18A3 (0.60) SLC18A3MEN1KMT2ANNMTTNKS
SCHEMBL18228223 0.80 SLC18A3 (0.60) SLC18A3MEN1KMT2ANNMTTNKS
SCHEMBL230405 0.77 NPC1 (0.71) MEN1CYP2D6KMT2ANPC1RAB9A
SCHEMBL26094393 0.77 KMT2A (0.53) MEN1KMT2ANPC1RAB9A
SCHEMBL28853734 0.77 SLC18A3 (0.57) SLC18A3NNMTTNKSTNKS2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
WO-2017076484-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2017-05-11 WO disclosed
EP-3027598-B1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
EP-3140295-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES Merck Patent GmbH (DE) 2017-03-15 EP 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 (5 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 SLC18A3 4802/4885MEN1 3993/4885CYP2D6 2103/4885
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 SLC18A3 248/4885MEN1 3922/4885CYP2D6 548/4885
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES TNKS, TANK, TBKBP1 SLC18A3 4802/4885MEN1 3993/4885CYP2D6 2103/4885
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES TANK, IRAK3, TNKS SLC18A3 4383/4885MEN1 3932/4885CYP2D6 2112/4885
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 SLC18A3 4678/4885MEN1 4039/4885CYP2D6 1952/4885

“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.