SCHEMBL7526441

SCHEMBL7526441

CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(COCCC2CCN(C(=O)OCc3ccccc3)CC2)N1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.54
NOTCH1 P46531 3/20 0.39
PDE1C Q14123 1/20 0.37
CHRM4 P08173 1/20 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
SCHEMBL7530622 0.92 CACNA1B (0.62) CACNA1BNOTCH1CHRM4
SCHEMBL7528367 0.90 CACNA1B (0.61) CACNA1B
SCHEMBL7527934 0.88 CACNA1B (0.64) CACNA1BPDE1C
SCHEMBL7526364 0.88 CACNA1B (0.64) CACNA1BPDE1C
SCHEMBL6929233 0.87 CACNA1B (0.49) CACNA1BPDE1C
SCHEMBL7535698 0.85 CACNA1B (0.45) CACNA1BCHRM4
SCHEMBL7527493 0.85 CACNA1B (0.65) CACNA1B
SCHEMBL7530789 0.85 CACNA1B (0.65) CACNA1B
SCHEMBL7534438 0.85 CACNA1B (0.65) CACNA1B
SCHEMBL7532861 0.84 CACNA1B (0.59) CACNA1B

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 1/4885NOTCH1 782/4885PDE1C 141/4885

“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.