SCHEMBL8214829

SCHEMBL8214829

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.52
CACNA1F O60840 7/20 0.51
CACNA1D Q01668 7/20 0.51
CACNA1S Q13698 7/20 0.51
CACNA1C Q13936 7/20 0.51
ADORA3 P0DMS8 2/20 0.51
ACHE P22303 1/20 0.49
HIF1A Q16665 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL8216801 0.88 CACNA1F (0.52) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8222062 0.88 CACNA1F (0.54) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8222599 0.87 KDM4E (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8222275 0.87 ADORA3 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3016370 0.85 CACNA1F (0.66) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8214827 0.84 ABCC9 (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8222269 0.81 GAA (0.47) CACNA1CADORA3HIF1ACYP1A2CYP3A4
SCHEMBL8222811 0.81 ALDH1A1 (0.50) ADORA3HIF1ACYP1A2CYP3A4CYP2C9
SCHEMBL8215604 0.81 ABCC1 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8215039 0.81 KDM4E (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 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 (1 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 CACNA1B 58/4885CACNA1F 83/4885CACNA1D 148/4885

“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.