SCHEMBL7525504

SCHEMBL7525504

CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(OCCN2CCOCC2)N1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.58
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40

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
SCHEMBL7529036 0.89 CACNA1B (0.57) CACNA1BTP53
SCHEMBL4502898 0.84 CACNA1B (0.81) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7532861 0.83 CACNA1B (0.59) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7527147 0.82 CACNA1B (0.58) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7528099 0.82 CACNA1B (0.58) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7530511 0.82 CACNA1B (0.66) CACNA1BTP53
SCHEMBL7529103 0.80 CACNA1B (0.66) CACNA1B
SCHEMBL7529587 0.80 CACNA1B (0.70) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7532382 0.80 CACNA1B (0.59) CACNA1BTP53
SCHEMBL7530092 0.80 CACNA1B (0.72) 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 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 1/4885KDM4E 3946/4885TP53 3537/4885

“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.