SCHEMBL5855231

SCHEMBL5855231

CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCCCCc2ccccc2)=C(C)N1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.58
CACNA1F O60840 5/20 0.48
CACNA1D Q01668 5/20 0.48
CACNA1S Q13698 5/20 0.48
CACNA1C Q13936 5/20 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
SCHEMBL27541930 0.97 CACNA1B (0.58) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27541957 0.92 CACNA1B (0.55) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7656853 0.92 CACNA1B (0.53) CACNA1B
SCHEMBL7665052 0.90 CACNA1B (0.53) CACNA1B
SCHEMBL4507052 0.90 CACNA1B (0.64) CACNA1B
SCHEMBL5856296 0.90 CACNA1B (0.71) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5855031 0.89 CACNA1B (0.63) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27541941 0.89 CACNA1B (0.57) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27541936 0.89 CACNA1B (0.51) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27516766 0.88 CACNA1B (0.57) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995179-B2 Dihydropyridine derivative AJINOMOTO CO., INC. (JP) 2006-02-07 US disclosed
US-20020111494-A1 Novel dihydropyridine derivative AJINOMOTO CO., INC. (JP) 2002-08-15 US disclosed
US-6350766-B1 PAIN, CNS AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
CN-1261348-A Dihydropyridine derivatives AJINOMTO CO INC (JP) 2000-07-26 CN disclosed
EP-0985667-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-03-15 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-20020111494-A1 Novel dihydropyridine derivative CACNA1B, CACNA1D, CACNA1S CACNA1B 1/4885CACNA1F 6/4885CACNA1D 2/4885

“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.