SCHEMBL5857967

SCHEMBL5857967

CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OC(C(N)=O)c2ccccc2)=C(C)N1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.62
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7533787 0.90 CACNA1B (0.65) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7532827 0.88 CACNA1B (0.69) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4502898 0.88 CACNA1B (0.81) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11106245 0.87 CACNA1B (0.60) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5855031 0.87 CACNA1B (0.63) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7525770 0.86 CACNA1B (0.64) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7530092 0.86 CACNA1B (0.72) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5855026 0.85 CACNA1B (0.70) CACNA1B
SCHEMBL7531011 0.85 CACNA1B (0.71) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7528697 0.85 CACNA1B (0.59) 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 4 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
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.