SCHEMBL5567951

SCHEMBL5567951

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)N(CCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 6/20 0.44
CACNA1D Q01668 6/20 0.44
CACNA1S Q13698 6/20 0.44
CACNA1C Q13936 6/20 0.44
CACNA1H O95180 2/20 0.43
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TNFSF11 O14788 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5567403 0.94 CACNA1H (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5567293 0.91 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5568051 0.91 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5568139 0.90 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5567178 0.89 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5563093 0.89 CACNA1H (0.44) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5569109 0.89 CACNA1H (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5567413 0.88 CACNA1H (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5567142 0.87 CACNA1H (0.46) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H
SCHEMBL5567899 0.87 CACNA1H (0.45) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1H

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
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO 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

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 CACNA1F 6/4885CACNA1D 4/4885CACNA1S 3/4885

“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.