SCHEMBL988076

SCHEMBL988076

CC(C#N)(CC=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 1/20 0.36
ATM Q13315 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HTT P42858 1/20 0.35
CCR1 P32246 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5779039 0.83 ALDH1A1 (0.46) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL5754563 0.82 CYP2D6 (0.40) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL5495026 0.77 ATM (0.55) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL24302110 0.76 CYP2D6 (0.43) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL1492823 0.76 CYP2D6 (0.43) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL12847815 0.75 EBP (0.37) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL21858220 0.75 TAAR1 (0.54) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL7886997 0.75 ESR1 (0.46) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL27486307 0.75 CYP2D6 (0.42) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL25463733 0.74 ALDH1A1 (0.37) CYP2D6DRD2DRD4OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776965-B2 Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-10-03 US disclosed
US-20160168094-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-16 US disclosed
US-9302987-B2 Pyrrolidinyl derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-04-05 US disclosed
EP-2456309-B1 Azabicyclo[3.2.1]octyl derivatives for use in the treatment of HIV. GLAXOSMITHKLINE LLC (US) 2015-12-23 EP disclosed
EP-2456309-B1 Azabicyclo[3.2.1]octyl derivatives for use in the treatment of HIV. GLAXOSMITHKLINE LLC (US) 2015-12-23 EP disclosed
US-20150183735-A1 PYRROLIDINYL DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-02 US disclosed
US-9012494-B2 Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2015-04-21 US disclosed
EP-1747199-B1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-8592395-B2 Therapeutic compounds GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
WO-2011011652-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed
CN-101001836-B Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV 2010-12-22 CN disclosed
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
US-20080139625-A1 Metabolic syndrome; compounds are 1,3-substituted-2-oxo-(pyrrolidines or piperidines); 3-[(2,6-Dichlorophenyl)methyl]-1-(1-phenylpropyl)-2-pyrrolidinone for example INSTITUTE OF ORGANIC CHEMISTRY, BULGARIAN ACADEMY OF SCIENCES (BG) 2008-06-12 US disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US disclosed
CN-101001836-A Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 CN disclosed
EP-1747199-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
WO-2005108360-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-17 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 (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-20120295877-A1 Therapeutic Compounds CCR5, CCR1, CXCR3 CYP2D6 1811/4885DRD2 2856/4885DRD4 2708/4885
US-20150183735-A1 PYRROLIDINYL DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD11B1, HSD3B1, HSD11B2 CYP2D6 251/4885DRD2 461/4885DRD4 838/4885
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors HSD11B1, HSD11B2, HSDL2 CYP2D6 218/4885DRD2 228/4885DRD4 442/4885
US-20160168094-A1 PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD3B1, HSDL2, HSD11B1 CYP2D6 325/4885DRD2 412/4885DRD4 949/4885
US-20080139625-A1 Metabolic syndrome; compounds are 1,3-substituted-2-oxo-(pyrrolidines or piperidines); 3-[(2,6-Dichlorophenyl)methyl]-1-(1-phenylpropyl)-2-pyrrolidinone for example NAT1, CBR1, PC CYP2D6 504/4885DRD2 1345/4885DRD4 2158/4885

“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.