SCHEMBL7532682

SCHEMBL7532682

CCCCCCOCC1=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(C)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.64
PDE1C Q14123 1/20 0.46
CACNA1C Q13936 6/20 0.45
CACNA1F O60840 5/20 0.45
CACNA1D Q01668 5/20 0.45
CACNA1S Q13698 5/20 0.45
KCNK2 O95069 1/20 0.41
ABCB11 O95342 1/20 0.41
ADRB2 P07550 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL7527534 0.93 CACNA1B (0.72) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7575655 0.92 CACNA1B (0.54) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL7525677 0.90 CACNA1B (0.62) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7533528 0.87 CACNA1B (0.76) CACNA1B
SCHEMBL7531302 0.86 CACNA1B (0.77) CACNA1B
SCHEMBL7529039 0.86 CACNA1B (0.62) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL7528201 0.85 CACNA1B (0.61) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL7532118 0.85 CACNA1B (0.61) CACNA1BPDE1C
SCHEMBL7530718 0.85 CACNA1B (0.59) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7526364 0.85 CACNA1B (0.64) CACNA1BPDE1CCACNA1CKCNK2ABCB11

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-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C CACNA1B 1/4885PDE1C 141/4885CACNA1C 3/4885

“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.