SCHEMBL5563291

SCHEMBL5563291

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)CCc2cccc(C)c2)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1B Q00975 8/20 0.37
ACHE P22303 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CCR1 P32246 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL5563353 0.94 HTT (0.40) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563078 0.93 HTT (0.39) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563096 0.90 HTT (0.39) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5564962 0.89 HTT (0.38) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567863 0.87 CACNA1B (0.38) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5562940 0.85 HTT (0.37) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567878 0.84 CACNA1B (0.39) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5564536 0.82 CACNA1B (0.45) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567821 0.82 CACNA1B (0.40) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568470 0.82 CACNA1B (0.45) HTTCACNA1FCACNA1DCACNA1SCACNA1C

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-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

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 HTT 2627/4885CACNA1F 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.