SCHEMBL408283

SCHEMBL408283

Cn1cc(C(=O)C2CCNCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
GSK3B P49841 6/20 0.48
DYRK1A Q13627 6/20 0.48
WNT1 P04628 4/20 0.48
HRH3 Q9Y5N1 1/20 0.46
TNKS O95271 7/20 0.43
TNKS2 Q9H2K2 7/20 0.43
PARP1 P09874 6/20 0.43
PLAT P00750 1/20 0.43
ABL1 P00519 1/20 0.40

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 SCHEMBL440170 0.98 MEN1 (0.54) MEN1CYP2D6KMT2AGSK3BDYRK1A
SCHEMBL17252020 0.82 MEN1 (0.47) MEN1CYP2D6KMT2ADYRK1AHRH3
SCHEMBL18624033 0.82 ACHE (0.50) MEN1CYP2D6KMT2AGSK3BDYRK1A
Hydrochloric Acid SCHEMBL461873 0.81 MEN1 (0.49) MEN1CYP2D6KMT2ADYRK1AHRH3
Hydrochloric Acid SCHEMBL17243327 0.81 ACHE (0.49) MEN1CYP2D6KMT2AGSK3BDYRK1A
SCHEMBL16462782 0.81 WNT1 (0.47) GSK3BDYRK1AWNT1TNKSTNKS2
SCHEMBL463382 0.79 TNKS (0.43) TNKSTNKS2PARP1
SCHEMBL438489 0.78 TNKS (0.48) MEN1KMT2ATNKSTNKS2PARP1
SCHEMBL15219421 0.77 KDM5A (0.51) GSK3BDYRK1A
SCHEMBL9980816 0.74 MEN1 (0.55) MEN1CYP2D6KMT2AGSK3BDYRK1A

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 15 patents. 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
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
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 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
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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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 MEN1 3993/4885CYP2D6 2103/4885KMT2A 530/4885
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES TNKS, TANK, TBKBP1 MEN1 3993/4885CYP2D6 2103/4885KMT2A 530/4885
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES TANK, IRAK3, TNKS MEN1 3932/4885CYP2D6 2112/4885KMT2A 1097/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT MEN1 4411/4885CYP2D6 1264/4885KMT2A 667/4885
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 MEN1 4039/4885CYP2D6 1952/4885KMT2A 1418/4885

“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.