SCHEMBL6924155

SCHEMBL6924155

CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(COCCN2CCCCC2)N1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.53
ADRA1D P25100 6/20 0.41
ADRA1A P35348 6/20 0.41
ADRA1B P35368 6/20 0.41
ADRA2A P08913 5/20 0.41
ADRA2B P18089 5/20 0.41
ADRA2C P18825 5/20 0.41
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39

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
SCHEMBL6925859 0.89 CACNA1B (0.51) CACNA1BADRA1DADRA1AADRA1BADRA2A
SCHEMBL6929492 0.89 CACNA1B (0.55) CACNA1B
SCHEMBL7526009 0.88 CACNA1B (0.68) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7525757 0.88 CACNA1B (0.68) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4502482 0.88 CACNA1B (0.59) CACNA1BADRA1DADRA1AADRA1BADRA2A
SCHEMBL4510068 0.88 CACNA1B (0.59) CACNA1B
SCHEMBL7532435 0.87 CACNA1B (0.69) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7521864 0.87 CACNA1B (0.68) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6931116 0.86 CACNA1B (0.58) CACNA1B
SCHEMBL7527429 0.86 CACNA1B (0.69) 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-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-20020193605-A1 New dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
EP-1191022-A1 NOVEL 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-20020193605-A1 New dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C CACNA1B 1/4885ADRA1D 221/4885ADRA1A 390/4885

“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.