SCHEMBL5569504

SCHEMBL5569504

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCNC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
CACNA1B Q00975 5/20 0.43
SNCA P37840 1/20 0.42
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
CA9 Q16790 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL5569027 0.85 ADRA1D (0.40) ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL5568028 0.84 HTT (0.40) ADRA1DADRA1AADRA1BCACNA1BFNTA
SCHEMBL5568481 0.84 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1BLMNA
SCHEMBL6471458 0.84 NPC1 (0.45) ADRA1DADRA1AADRA1BCACNA1BLMNA
SCHEMBL5563153 0.83 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL5563397 0.82 NPY5R (0.44) ADRA1DADRA1AADRA1BCACNA1BFNTA
SCHEMBL5569023 0.81 HTT (0.42) ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL5567175 0.80 HTT (0.40) ADRA1DADRA1AADRA1BCACNA1BFNTA
SCHEMBL6471949 0.80 MAPT (0.46) ADRA1DADRA1AADRA1BCACNA1BLMNA
SCHEMBL5563109 0.80 ADRA1D (0.40) ADRA1DADRA1AADRA1BCACNA1BLMNA

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 6 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
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 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.