SCHEMBL1257136

SCHEMBL1257136

COCNC(=O)C1CNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.50
PRCP P42785 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
PREP P48147 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CTSK P43235 1/20 0.44

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
SCHEMBL21854732 0.87 HTR2C (0.51) HTR2CPRCPNPSR1KMT2AALDH1A1
SCHEMBL28968976 0.86 PRCP (0.67) HTR2CPRCPNPSR1KMT2AALDH1A1
SCHEMBL6501753 0.85 HTR2C (0.52) HTR2CNPSR1KMT2AALDH1A1PREP
SCHEMBL3017853 0.85 HTR2C (0.52) HTR2CNPSR1KMT2AALDH1A1PREP
SCHEMBL6487292 0.85 HTR2C (0.52) HTR2CNPSR1KMT2AALDH1A1PREP
Trifluoroacetic Acid SCHEMBL21854853 0.85 HTR2C (0.47) HTR2CPRCPNPSR1KMT2AHTT
Hydrochloric Acid SCHEMBL7013165 0.84 HTR2C (0.51) HTR2CNPSR1KMT2AALDH1A1PREP
SCHEMBL8707997 0.84 NPSR1 (0.49) HTR2CPRCPNPSR1KMT2AALDH1A1
SCHEMBL7276728 0.84 PRCP (0.66) PRCPNPSR1KMT2AALDH1A1PREP
SCHEMBL2439870 0.83 TSHR (0.48) HTR2CPRCPNPSR1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928124-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-04-19 US disclosed
US-7928125-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-04-19 US disclosed
US-7897618-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-03-01 US disclosed
US-7893090-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-02-22 US disclosed
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-02-05 US disclosed
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7470710-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-30 US disclosed
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2008-12-25 US disclosed
EP-1705179-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2006-09-27 EP disclosed
US-20040180887-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2004-09-16 US disclosed
EP-1399441-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003002561-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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-20040180887-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, OXTR HTR2C 33/4885PRCP 1867/4885NPSR1 15/4885
US-20090012122-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HTR2C 89/4885PRCP 796/4885NPSR1 4/4885
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HTR2C 89/4885PRCP 796/4885NPSR1 4/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HTR2C 89/4885PRCP 796/4885NPSR1 4/4885
US-20090036442-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HTR2C 89/4885PRCP 796/4885NPSR1 4/4885

“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.