SCHEMBL19002115

SCHEMBL19002115

CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cccc(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 11/20 0.58
CACNA1F O60840 10/20 0.58
CACNA1D Q01668 10/20 0.58
CACNA1S Q13698 10/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2C19 P33261 4/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 2/20 0.58
NFKB1 P19838 2/20 0.58
THPO P40225 2/20 0.58
ADORA3 P0DMS8 3/20 0.53
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
CACNA1H O95180 1/20 0.52

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
SCHEMBL19017149 0.92 ADORA3 (0.60) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL18996989 0.91 MEN1 (0.58) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL8286960 0.89 MEN1 (0.73) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL9152968 0.87 MEN1 (0.54) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL11778345 0.86 CACNA1F (0.67) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL8288455 0.84 ADORA3 (0.74) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL8288454 0.83 CACNA1B (0.75) CACNA1CMEN1KMT2AADORA3MLNR
SCHEMBL3024959 0.82 CACNA1B (0.62) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL10830852 0.81 ADORA3 (0.72) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL10540800 0.81 ADORA3 (0.60) CACNA1CCACNA1FCACNA1DCACNA1SMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 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 (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-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 CACNA1C 1450/4885CACNA1F 2310/4885CACNA1D 1629/4885

“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.