SCHEMBL5568254

SCHEMBL5568254

CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)Nc2ccc(F)cc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.40
CACNA1F O60840 4/20 0.40
CACNA1D Q01668 4/20 0.40
CACNA1S Q13698 4/20 0.40
CACNA1C Q13936 4/20 0.40
GAA P10253 1/20 0.40
CACNA1B Q00975 1/20 0.38
MAPT P10636 1/20 0.38
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ACHE P22303 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL5569048 0.89 CACNA1B (0.41) CACNA1FCACNA1DCACNA1SCACNA1CGAA
SCHEMBL5563397 0.81 NPY5R (0.44) CACNA1BMAPTADRA1DADRA1AADRA1B
SCHEMBL20328325 0.81 CACNA1F (0.40) XBP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568219 0.81 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL8302877 0.80 CACNA1F (0.47) XBP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568116 0.79 CACNA1F (0.40) XBP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL20328168 0.78 CACNA1F (0.40) XBP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563157 0.77 HTT (0.39) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL20328142 0.76 CACNA1F (0.36) XBP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563888 0.76 CACNA1F (0.38) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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 disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
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 XBP1 2231/4885CACNA1F 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.