SCHEMBL5569430

SCHEMBL5569430

COc1cccc(CC(=O)N(C)CCCN2C(=O)NC(C)=C(C(=O)O)C2c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CACNA1C Q13936 9/20 0.46
CACNA1F O60840 8/20 0.46
CACNA1D Q01668 8/20 0.46
CACNA1S Q13698 8/20 0.46
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL5567572 0.93 CACNA1H (0.47) CACNA1HSIGMAR1CACNA1CCACNA1FCACNA1D
SCHEMBL5563125 0.93 CACNA1C (0.47) CACNA1HSIGMAR1CACNA1CCACNA1FCACNA1D
SCHEMBL5568089 0.92 CACNA1H (0.50) CACNA1HSIGMAR1CACNA1CCACNA1FCACNA1D
SCHEMBL5568232 0.88 CACNA1H (0.46) CACNA1HCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL5563138 0.87 CACNA1H (0.46) CACNA1HSIGMAR1CACNA1CCACNA1FCACNA1D
SCHEMBL5567742 0.87 CACNA1H (0.46) CACNA1HSIGMAR1CACNA1CCACNA1FCACNA1D
SCHEMBL5567241 0.86 CACNA1H (0.50) CACNA1HCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL5567111 0.85 CACNA1H (0.46) CACNA1HCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL5568225 0.85 CACNA1H (0.51) CACNA1HCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL5568065 0.85 CACNA1H (0.51) CACNA1HCACNA1CCACNA1FCACNA1DCACNA1S

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-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 CACNA1H 10/4885SIGMAR1 1528/4885CACNA1C 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.