SCHEMBL5563125

SCHEMBL5563125

COc1ccc(CC(=O)N(C)CCCN2C(=O)NC(C)=C(C(=O)O)C2c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 10/20 0.47
CACNA1F O60840 9/20 0.47
CACNA1D Q01668 9/20 0.47
CACNA1S Q13698 9/20 0.47
CACNA1H O95180 2/20 0.47
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5569430 0.93 CACNA1H (0.46) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5568089 0.92 CACNA1H (0.50) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5567742 0.91 CACNA1H (0.46) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5563138 0.91 CACNA1H (0.46) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5567572 0.88 CACNA1H (0.47) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5567111 0.86 CACNA1H (0.46) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5568232 0.85 CACNA1H (0.46) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5562861 0.85 CACNA1F (0.46) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5567241 0.85 CACNA1H (0.50) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H
SCHEMBL5568225 0.84 CACNA1H (0.51) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1H

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-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US claimed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US claimed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO 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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function CACNA1E, CACNA1C, CACNA1S CACNA1C 2/4885CACNA1F 6/4885CACNA1D 4/4885

“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.