SCHEMBL609574

SCHEMBL609574

CCC(=O)CNC(=O)c1ccc(C)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
BRD4 O60885 4/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36

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
SCHEMBL2473897 0.85 EGFR (0.51) EGFRBRD4KMT2AKDM4ESMN1; SMN2
SCHEMBL30027960 0.84 EGFR (0.54) EGFRBRD4KMT2AKDM4ESMN1; SMN2
SCHEMBL5433157 0.78 BRD4 (0.53) EGFRBRD4SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5430952 0.78 EGFR (0.50) EGFRBRD4KMT2AKDM4ESMN1; SMN2
SCHEMBL2472437 0.77 EGFR (0.47) EGFRBRD4KMT2AKDM4ESMN1; SMN2
SCHEMBL5425552 0.77 EGFR (0.47) EGFRBRD4KMT2ASMN1; SMN2ADORA2A
SCHEMBL2474259 0.77 EGFR (0.49) EGFRBRD4KMT2ASMN1; SMN2ADORA2A
SCHEMBL27697974 0.77 SMN1; SMN2 (0.54) EGFRKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL5423538 0.76 HPGD (0.48) EGFRBRD4KMT2AKDM4ESMN1; SMN2
SCHEMBL14469060 0.76 EGFR (0.57) EGFRBRD4KDM4ESMN1; SMN2ALDH1A1

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
CN-102459229-A 3-azabicyclo [4.1.0] heptanes as orexin antagonists GLAXO GROUP LTD 2012-05-16 CN disclosed
EP-2421850-A1 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
CN-102325770-A Piperidine derivatives as orexin antagonists GLAXO GROUP LTD 2012-01-18 CN disclosed
CN-102300857-A N-{[(ir,4s,6r-3-(2-pyridinylcarbonyl)-3-azabicyclo [4.1.0]hept-4-yl] Methyl}-2-heteroarylamine Derivatives And Uses Thereof 2011-12-28 CN disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 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 (3 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 EGFR 4479/4885BRD4 947/4885KMT2A 1233/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B EGFR 1951/4885BRD4 48/4885KMT2A 1395/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R EGFR 4260/4885BRD4 1202/4885KMT2A 1244/4885

“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.