SCHEMBL3016370

SCHEMBL3016370

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.66
CACNA1D Q01668 8/20 0.66
CACNA1S Q13698 8/20 0.66
CACNA1C Q13936 8/20 0.66
ADORA3 P0DMS8 2/20 0.66
CACNA1B Q00975 1/20 0.65
HIF1A Q16665 3/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 2/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL11814696 0.92 CACNA1B (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8789376 0.88 CACNA1B (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11461893 0.87 CACNA1B (0.53) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11819548 0.86 CACNA1F (0.69) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7885845 0.86 ADORA3 (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7343711 0.86 ADORA3 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8214829 0.85 CACNA1B (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11785984 0.85 KDM4E (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11778345 0.85 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL16285260 0.84 ALDH1A1 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 CACNA1F 83/4885CACNA1D 148/4885CACNA1S 109/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CACNA1F 40/4885CACNA1D 54/4885CACNA1S 48/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CACNA1F 40/4885CACNA1D 54/4885CACNA1S 48/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CACNA1F 40/4885CACNA1D 54/4885CACNA1S 48/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 CACNA1F 40/4885CACNA1D 54/4885CACNA1S 48/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CACNA1F 40/4885CACNA1D 54/4885CACNA1S 48/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 CACNA1F 40/4885CACNA1D 54/4885CACNA1S 48/4885

“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.