SCHEMBL5568577

SCHEMBL5568577

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCNCC(=O)CCOc2ccc(F)cc2F)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.37
ADRA1A P35348 9/20 0.37
ADRA1B P35368 9/20 0.37
CACNA1B Q00975 7/20 0.36
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 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
SCHEMBL5567352 0.90 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1BL3MBTL1
SCHEMBL5564959 0.85 ADRA1D (0.38) ADRA1DADRA1AADRA1BCACNA1BCACNA1F
SCHEMBL5568581 0.85 CACNA1F (0.36) ADRA1DADRA1AADRA1BCACNA1BFFAR1
SCHEMBL5568165 0.84 ADRA1D (0.40) ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL5563450 0.84 ADRA1D (0.37) ADRA1DADRA1AADRA1BCACNA1BPPARG
SCHEMBL5563886 0.84 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1BCACNA1F
SCHEMBL5562936 0.84 ADRA1D (0.38) ADRA1DADRA1AADRA1BCACNA1BCACNA1F
SCHEMBL5569046 0.81 CACNA1B (0.45) ADRA1DADRA1AADRA1BCACNA1BCACNA1F
SCHEMBL5563153 0.79 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1BCACNA1F
SCHEMBL5567440 0.78 ADRA1D (0.41) ADRA1DADRA1AADRA1BCACNA1BL3MBTL1

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 ADRA1D 170/4885ADRA1A 175/4885ADRA1B 191/4885

“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.