SCHEMBL6925293

SCHEMBL6925293

CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(COCCc2ccccc2)N1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.54
ADRA1A P35348 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6931206 0.93 CACNA1B (0.56) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL6931175 0.91 CACNA1B (0.51) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL6926136 0.90 CACNA1B (0.52) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL6931116 0.89 CACNA1B (0.58) CACNA1B
SCHEMBL4496949 0.88 CACNA1B (0.67) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL6925859 0.88 CACNA1B (0.51) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL6924144 0.87 CACNA1B (0.55) CACNA1B
SCHEMBL6929379 0.87 CACNA1B (0.49) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL6931010 0.87 CACNA1B (0.57) CACNA1BCACNA1CMEN1KMT2A
SCHEMBL6929235 0.87 CACNA1B (0.49) CACNA1BADRA1ACACNA1CMEN1KMT2A

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 3 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-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 1/4885ADRA1A 390/4885CACNA1F 6/4885

“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.